\n",
" \n",
" 0 | \n",
" 121 | \n",
" 343b475af8111dbf99e03a97bfa546cb | \n",
" chemCPA/experiments_run.py | \n",
" 👾🧪_baseline_comparison | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" chemical_CPA | \n",
" /home/icb/leon.hetzel/git/chemCPA_v2 | \n",
" [[chemCPA/profiling.py, 62e5be92ced508a4b08482... | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" python chemCPA/experiments_run.py with 'datase... | \n",
" /tmp/a1f37c71-b6e3-4cee-aa0c-1896169ecda1 | \n",
" 121 | \n",
" baseline_comparison | \n",
" cell_type | \n",
" project_folder/datasets/adata_baseline_high_do... | \n",
" lincs_DEGs | \n",
" dose | \n",
" cov_drug_dose_name | \n",
" condition | \n",
" SMILES | \n",
" split_baseline_A549 | \n",
" True | \n",
" trapnell | \n",
" ReLU | \n",
" sigm | \n",
" 50 | \n",
" 1337 | \n",
" False | \n",
" project_folder/embeddings | \n",
" vanilla | \n",
" True | \n",
" 2 | \n",
" 0.000364 | \n",
" 2 | \n",
" 7.459343e-07 | \n",
" 128 | \n",
" 4 | \n",
" 0.000561 | \n",
" 1.329292e-07 | \n",
" 256 | \n",
" 32 | \n",
" 32 | \n",
" 0.000561 | \n",
" 1.329292e-07 | \n",
" 0.262378 | \n",
" 0.199070 | \n",
" 3.981399 | \n",
" 8.605035 | \n",
" 0 | \n",
" 50 | \n",
" False | \n",
" ff420aea264fca7668ecb147f60762a1 | \n",
" a7060ac4e2c6154e64a13acd414cbba2 | \n",
" 4f061dbfc7af05cf84f06a724b0c8563 | \n",
" project_folder/checkpoints | \n",
" ./ | \n",
" False | \n",
" 25 | \n",
" False | \n",
" 1200 | \n",
" 201 | \n",
" True | \n",
" False | \n",
" True | \n",
" False | \n",
" True | \n",
" project_folder/checkpoints | \n",
" 633631420 | \n",
" [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13,... | \n",
" [200] | \n",
" [-3612.1250748652965, -4404.025819726288, -456... | \n",
" [16743.648698329926, 16650.181357383728, 16627... | \n",
" [3565.2551429867744, 3514.6954230070114, 3455.... | \n",
" [19.383947187998274, 0.21128761193540413, 0.21... | \n",
" [4.457751702488167, 1.1393359339490416, 0.1101... | \n",
" [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, ... | \n",
" 214.742422 | \n",
" [0.1179213896393776] | \n",
" [0.09427048634243837] | \n",
" [[0.7538307905197144]] | \n",
" [[0.5531312227249146]] | \n",
" [[0.894983643520549, 0.8292395011699352, 0.845... | \n",
" [[0.7011336828407801, 0.6790618055181907, 0.51... | \n",
" [[0.6922795044051276, 0.5382340351740519, 0.60... | \n",
" 200 | \n",
" NaN | \n",
" NaN | \n",
" NaN | \n",
" NaN | \n",
"
\n",
" \n",
" 1 | \n",
" 122 | \n",
" 4f5a9a00cb34fff872d9e650545f8d49 | \n",
" chemCPA/experiments_run.py | \n",
" 👾🧪_baseline_comparison | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" chemical_CPA | \n",
" /home/icb/leon.hetzel/git/chemCPA_v2 | \n",
" [[chemCPA/profiling.py, 62e5be92ced508a4b08482... | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" python chemCPA/experiments_run.py with 'datase... | \n",
" /tmp/a1f37c71-b6e3-4cee-aa0c-1896169ecda1 | \n",
" 122 | \n",
" baseline_comparison | \n",
" cell_type | \n",
" project_folder/datasets/adata_baseline_high_do... | \n",
" lincs_DEGs | \n",
" dose | \n",
" cov_drug_dose_name | \n",
" condition | \n",
" SMILES | \n",
" split_baseline_A549 | \n",
" True | \n",
" trapnell | \n",
" ReLU | \n",
" sigm | \n",
" 50 | \n",
" 1337 | \n",
" False | \n",
" project_folder/embeddings | \n",
" vanilla | \n",
" True | \n",
" 3 | \n",
" 0.007702 | \n",
" 3 | \n",
" 5.669850e-04 | \n",
" 256 | \n",
" 4 | \n",
" 0.007969 | \n",
" 7.114476e-06 | \n",
" 256 | \n",
" 32 | \n",
" 32 | \n",
" 0.007969 | \n",
" 7.114476e-06 | \n",
" 0.262378 | \n",
" 1.667521 | \n",
" 33.350424 | \n",
" 43.526159 | \n",
" 0 | \n",
" 50 | \n",
" False | \n",
" ff420aea264fca7668ecb147f60762a1 | \n",
" a7060ac4e2c6154e64a13acd414cbba2 | \n",
" 4f061dbfc7af05cf84f06a724b0c8563 | \n",
" project_folder/checkpoints | \n",
" ./ | \n",
" False | \n",
" 25 | \n",
" False | \n",
" 1200 | \n",
" 201 | \n",
" True | \n",
" False | \n",
" True | \n",
" False | \n",
" True | \n",
" project_folder/checkpoints | \n",
" 785708499 | \n",
" [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13,... | \n",
" [200] | \n",
" [-3015.6840969249606, -4258.411025434732, -451... | \n",
" [16747.717359542847, 16588.1752948761, 16575.5... | \n",
" [3657.765406548977, 3482.871282696724, 3488.26... | \n",
" [21.653557068414557, 0.01693590308169668, 0.00... | \n",
" [0.10074355859187276, 1.6497430284824943e-05, ... | \n",
" [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, ... | \n",
" 230.555345 | \n",
" [0.09785143285989761] | \n",
" [0.09427048634243837] | \n",
" [[0.5867754817008972]] | \n",
" [[0.5531312227249146]] | \n",
" [[0.8779092754512863, 0.8201843837644573, 0.84... | \n",
" [[0.6879080172786094, 0.6737331918944742, 0.51... | \n",
" [[0.6768552528487312, 0.5380959510803223, 0.61... | \n",
" 200 | \n",
" NaN | \n",
" NaN | \n",
" NaN | \n",
" NaN | \n",
"
\n",
" \n",
" 2 | \n",
" 123 | \n",
" fa0d1d0cb3f0fb762cb7b86717c265bf | \n",
" chemCPA/experiments_run.py | \n",
" 👾🧪_baseline_comparison | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" chemical_CPA | \n",
" /home/icb/leon.hetzel/git/chemCPA_v2 | \n",
" [[chemCPA/profiling.py, 62e5be92ced508a4b08482... | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" python chemCPA/experiments_run.py with 'datase... | \n",
" /tmp/eee38f2a-fe72-4120-b2c6-bcc1501a273c | \n",
" 123 | \n",
" baseline_comparison | \n",
" cell_type | \n",
" project_folder/datasets/adata_baseline_high_do... | \n",
" lincs_DEGs | \n",
" dose | \n",
" cov_drug_dose_name | \n",
" condition | \n",
" SMILES | \n",
" split_baseline_A549 | \n",
" True | \n",
" trapnell | \n",
" ReLU | \n",
" sigm | \n",
" 50 | \n",
" 1337 | \n",
" False | \n",
" project_folder/embeddings | \n",
" vanilla | \n",
" True | \n",
" 3 | \n",
" 0.002417 | \n",
" 3 | \n",
" 4.570563e-05 | \n",
" 64 | \n",
" 4 | \n",
" 0.002911 | \n",
" 1.570297e-06 | \n",
" 256 | \n",
" 32 | \n",
" 32 | \n",
" 0.002911 | \n",
" 1.570297e-06 | \n",
" 0.262378 | \n",
" 0.744163 | \n",
" 14.883265 | \n",
" 23.523782 | \n",
" 0 | \n",
" 50 | \n",
" False | \n",
" ff420aea264fca7668ecb147f60762a1 | \n",
" a7060ac4e2c6154e64a13acd414cbba2 | \n",
" 4f061dbfc7af05cf84f06a724b0c8563 | \n",
" project_folder/checkpoints | \n",
" ./ | \n",
" False | \n",
" 25 | \n",
" False | \n",
" 1200 | \n",
" 201 | \n",
" True | \n",
" False | \n",
" True | \n",
" False | \n",
" True | \n",
" project_folder/checkpoints | \n",
" 265863942 | \n",
" [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13,... | \n",
" [200] | \n",
" [-3103.6756750843488, -3997.364077932667, -421... | \n",
" [16745.280101776123, 16632.498584747314, 16595... | \n",
" [3612.7785443663597, 3519.0313788056374, 3528.... | \n",
" [11.70924133083463, 0.08866506138838304, 0.068... | \n",
" [0.38809096050771075, 0.002621283691138565, 0.... | \n",
" [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, ... | \n",
" 219.842617 | \n",
" [0.14781811833381653] | \n",
" [0.09427048634243837] | \n",
" [[0.964024007320404]] | \n",
" [[0.5531312227249146]] | \n",
" [[0.8885318681246139, 0.8238044218878564, 0.84... | \n",
" [[0.6944840129771435, 0.6757455790726621, 0.51... | \n",
" [[0.6832679973708259, 0.5239443447854784, 0.60... | \n",
" 200 | \n",
" NaN | \n",
" NaN | \n",
" NaN | \n",
" NaN | \n",
"
\n",
" \n",
" 3 | \n",
" 124 | \n",
" 1f7a7c7f991cc1758df954c935c55c93 | \n",
" chemCPA/experiments_run.py | \n",
" 👾🧪_baseline_comparison | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" chemical_CPA | \n",
" /home/icb/leon.hetzel/git/chemCPA_v2 | \n",
" [[chemCPA/profiling.py, 62e5be92ced508a4b08482... | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" python chemCPA/experiments_run.py with 'datase... | \n",
" /tmp/eee38f2a-fe72-4120-b2c6-bcc1501a273c | \n",
" 124 | \n",
" baseline_comparison | \n",
" cell_type | \n",
" project_folder/datasets/adata_baseline_high_do... | \n",
" lincs_DEGs | \n",
" dose | \n",
" cov_drug_dose_name | \n",
" condition | \n",
" SMILES | \n",
" split_baseline_A549 | \n",
" True | \n",
" trapnell | \n",
" ReLU | \n",
" sigm | \n",
" 50 | \n",
" 1337 | \n",
" False | \n",
" project_folder/embeddings | \n",
" vanilla | \n",
" True | \n",
" 3 | \n",
" 0.001193 | \n",
" 2 | \n",
" 9.846739e-06 | \n",
" 64 | \n",
" 4 | \n",
" 0.001575 | \n",
" 6.251374e-07 | \n",
" 256 | \n",
" 32 | \n",
" 32 | \n",
" 0.001575 | \n",
" 6.251374e-07 | \n",
" 0.262378 | \n",
" 0.455048 | \n",
" 9.100952 | \n",
" 16.165583 | \n",
" 0 | \n",
" 50 | \n",
" False | \n",
" ff420aea264fca7668ecb147f60762a1 | \n",
" a7060ac4e2c6154e64a13acd414cbba2 | \n",
" 4f061dbfc7af05cf84f06a724b0c8563 | \n",
" project_folder/checkpoints | \n",
" ./ | \n",
" False | \n",
" 25 | \n",
" False | \n",
" 1200 | \n",
" 201 | \n",
" True | \n",
" False | \n",
" True | \n",
" False | \n",
" True | \n",
" project_folder/checkpoints | \n",
" 836859251 | \n",
" [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13,... | \n",
" [200] | \n",
" [-3164.6480776499957, -4117.536705642939, -441... | \n",
" [16705.996699810028, 16600.16117286682, 16576.... | \n",
" [3396.620738953352, 3465.884160220623, 3488.98... | \n",
" [10.563939020610633, 0.13839950135843537, 0.13... | \n",
" [1.8068002152499503, 0.1811026665591271, 0.056... | \n",
" [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, ... | \n",
" 223.990424 | \n",
" [0.12624916434288025] | \n",
" [0.09427048634243837] | \n",
" [[0.7513324618339539]] | \n",
" [[0.5531312227249146]] | \n",
" [[0.892137276498895, 0.8261171476594333, 0.842... | \n",
" [[0.697727657018457, 0.6758148670196533, 0.510... | \n",
" [[0.6916353040271335, 0.5308450327979194, 0.57... | \n",
" 200 | \n",
" NaN | \n",
" NaN | \n",
" NaN | \n",
" NaN | \n",
"
\n",
" \n",
" 4 | \n",
" 125 | \n",
" a8d8f9dfb023f7015add9f7adaf279da | \n",
" chemCPA/experiments_run.py | \n",
" 👾🧪_baseline_comparison | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" chemical_CPA | \n",
" /home/icb/leon.hetzel/git/chemCPA_v2 | \n",
" [[chemCPA/profiling.py, 62e5be92ced508a4b08482... | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" python chemCPA/experiments_run.py with 'datase... | \n",
" /tmp/7dc77895-971c-4894-9680-01bffacc265b | \n",
" 125 | \n",
" baseline_comparison | \n",
" cell_type | \n",
" project_folder/datasets/adata_baseline_high_do... | \n",
" lincs_DEGs | \n",
" dose | \n",
" cov_drug_dose_name | \n",
" condition | \n",
" SMILES | \n",
" split_baseline_A549 | \n",
" True | \n",
" trapnell | \n",
" ReLU | \n",
" sigm | \n",
" 50 | \n",
" 1337 | \n",
" False | \n",
" project_folder/embeddings | \n",
" vanilla | \n",
" True | \n",
" 4 | \n",
" 0.000114 | \n",
" 2 | \n",
" 6.026889e-08 | \n",
" 256 | \n",
" 4 | \n",
" 0.000205 | \n",
" 2.938028e-08 | \n",
" 256 | \n",
" 32 | \n",
" 32 | \n",
" 0.000205 | \n",
" 2.938028e-08 | \n",
" 0.262378 | \n",
" 0.088904 | \n",
" 1.778080 | \n",
" 4.653208 | \n",
" 0 | \n",
" 50 | \n",
" False | \n",
" ff420aea264fca7668ecb147f60762a1 | \n",
" a7060ac4e2c6154e64a13acd414cbba2 | \n",
" 4f061dbfc7af05cf84f06a724b0c8563 | \n",
" project_folder/checkpoints | \n",
" ./ | \n",
" False | \n",
" 25 | \n",
" False | \n",
" 1200 | \n",
" 201 | \n",
" True | \n",
" False | \n",
" True | \n",
" False | \n",
" True | \n",
" project_folder/checkpoints | \n",
" 903215166 | \n",
" [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13,... | \n",
" [200] | \n",
" [-4074.531649325858, -4416.398121247068, -4512... | \n",
" [16829.74653148651, 16618.519855976105, 16584.... | \n",
" [2938.816438138485, 3098.5407883524895, 3461.6... | \n",
" [95.64959524141159, 0.568151389452396, 0.46298... | \n",
" [19.739791638217866, 1.196424510446377, 0.3738... | \n",
" [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, ... | \n",
" 177.911729 | \n",
" [0.10801132768392563] | \n",
" [0.09427048634243837] | \n",
" [[0.7604097723960876]] | \n",
" [[0.5531312227249146]] | \n",
" [[0.8067039461187788, 0.7766260079593278, 0.84... | \n",
" [[0.6378693109438603, 0.649653359690212, 0.508... | \n",
" [[0.6208917631043328, 0.5134070714314779, 0.54... | \n",
" 200 | \n",
" NaN | \n",
" NaN | \n",
" NaN | \n",
" NaN | \n",
"
\n",
" \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
" ... | \n",
"
\n",
" \n",
" 85 | \n",
" 206 | \n",
" aa173e4744edb454922df1b0eeb5bbc4 | \n",
" chemCPA/experiments_run.py | \n",
" 👾🧪_baseline_comparison | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" chemical_CPA | \n",
" /home/icb/leon.hetzel/git/chemCPA_v2 | \n",
" [[chemCPA/profiling.py, 62e5be92ced508a4b08482... | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" python chemCPA/experiments_run.py with overwri... | \n",
" /tmp/a47139b0-212d-4f9a-ab7c-fb8171b13588 | \n",
" 206 | \n",
" baseline_comparison | \n",
" cell_type | \n",
" project_folder/datasets/adata_baseline_high_do... | \n",
" lincs_DEGs | \n",
" dose | \n",
" cov_drug_dose_name | \n",
" condition | \n",
" SMILES | \n",
" split_baseline_MCF7 | \n",
" True | \n",
" trapnell | \n",
" ReLU | \n",
" amortized | \n",
" 50 | \n",
" 1337 | \n",
" False | \n",
" project_folder/embeddings | \n",
" rdkit | \n",
" False | \n",
" 3 | \n",
" 0.000114 | \n",
" 2 | \n",
" 6.025216e-08 | \n",
" 256 | \n",
" 4 | \n",
" 0.000205 | \n",
" 2.937538e-08 | \n",
" 256 | \n",
" 32 | \n",
" 32 | \n",
" 0.000205 | \n",
" 2.937538e-08 | \n",
" 0.262378 | \n",
" 0.088896 | \n",
" 1.777921 | \n",
" 4.652892 | \n",
" 0 | \n",
" 50 | \n",
" False | \n",
" ff420aea264fca7668ecb147f60762a1 | \n",
" a7060ac4e2c6154e64a13acd414cbba2 | \n",
" 4f061dbfc7af05cf84f06a724b0c8563 | \n",
" project_folder/checkpoints | \n",
" ./ | \n",
" False | \n",
" 25 | \n",
" False | \n",
" 1200 | \n",
" 201 | \n",
" True | \n",
" False | \n",
" True | \n",
" False | \n",
" True | \n",
" project_folder/checkpoints | \n",
" 68054828 | \n",
" [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13,... | \n",
" [200] | \n",
" [-3928.107380900532, -4360.742132589221, -4571... | \n",
" [16689.560056209564, 16487.667051792145, 16466... | \n",
" [3311.913051187992, 3038.192951053381, 3360.16... | \n",
" [84.0516434317251, 0.65314612855218, 0.2982176... | \n",
" [14.973322750767693, 10.860019343323074, 3.794... | \n",
" [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, ... | \n",
" 160.029760 | \n",
" [0.12368512898683548] | \n",
" [0.09922861150070127] | \n",
" [[0.8065392374992371]] | \n",
" [[0.49500349164009094]] | \n",
" [[0.8167659193547797, 0.8163067097023481, 0.85... | \n",
" [[0.6551213228880469, 0.6940624836962022, 0.52... | \n",
" [[0.668321344587538, 0.5470332503318787, 0.562... | \n",
" 200 | \n",
" 3.0 | \n",
" 64.0 | \n",
" 4.0 | \n",
" 128.0 | \n",
"
\n",
" \n",
" 86 | \n",
" 207 | \n",
" 4113c374288159693e1e24b080634b1f | \n",
" chemCPA/experiments_run.py | \n",
" 👾🧪_baseline_comparison | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" chemical_CPA | \n",
" /home/icb/leon.hetzel/git/chemCPA_v2 | \n",
" [[chemCPA/profiling.py, 62e5be92ced508a4b08482... | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" python chemCPA/experiments_run.py with overwri... | \n",
" /tmp/76be81f3-bfec-42a4-b94f-7aba4d451b42 | \n",
" 207 | \n",
" baseline_comparison | \n",
" cell_type | \n",
" project_folder/datasets/adata_baseline_high_do... | \n",
" lincs_DEGs | \n",
" dose | \n",
" cov_drug_dose_name | \n",
" condition | \n",
" SMILES | \n",
" split_baseline_MCF7 | \n",
" True | \n",
" trapnell | \n",
" ReLU | \n",
" amortized | \n",
" 50 | \n",
" 1337 | \n",
" False | \n",
" project_folder/embeddings | \n",
" rdkit | \n",
" False | \n",
" 2 | \n",
" 0.000068 | \n",
" 3 | \n",
" 1.951722e-08 | \n",
" 128 | \n",
" 4 | \n",
" 0.000131 | \n",
" 1.493657e-08 | \n",
" 256 | \n",
" 32 | \n",
" 32 | \n",
" 0.000131 | \n",
" 1.493657e-08 | \n",
" 0.262378 | \n",
" 0.061947 | \n",
" 1.238949 | \n",
" 3.532569 | \n",
" 0 | \n",
" 50 | \n",
" False | \n",
" ff420aea264fca7668ecb147f60762a1 | \n",
" a7060ac4e2c6154e64a13acd414cbba2 | \n",
" 4f061dbfc7af05cf84f06a724b0c8563 | \n",
" project_folder/checkpoints | \n",
" ./ | \n",
" False | \n",
" 25 | \n",
" False | \n",
" 1200 | \n",
" 201 | \n",
" True | \n",
" False | \n",
" True | \n",
" False | \n",
" True | \n",
" project_folder/checkpoints | \n",
" 930194830 | \n",
" [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13,... | \n",
" [200] | \n",
" [-4197.868488155305, -4475.532685916871, -4583... | \n",
" [17060.63821697235, 16632.067096710205, 16612.... | \n",
" [4374.603997647762, 4174.811530768871, 3928.21... | \n",
" [188.51864591054618, 14.712723883101717, 2.219... | \n",
" [19.27720962278545, 22.281489896588027, 32.605... | \n",
" [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, ... | \n",
" 152.992146 | \n",
" [0.18127629160881042] | \n",
" [0.09922861150070127] | \n",
" [[0.9946528673171997]] | \n",
" [[0.49500349164009094]] | \n",
" [[0.8268161761133295, 0.8152553533252916, 0.85... | \n",
" [[0.6606194375462793, 0.6902955718597963, 0.53... | \n",
" [[0.6588132845030891, 0.5406467053625319, 0.68... | \n",
" 200 | \n",
" 3.0 | \n",
" 64.0 | \n",
" 4.0 | \n",
" 128.0 | \n",
"
\n",
" \n",
" 87 | \n",
" 208 | \n",
" e5e1cb20a2d3f7393a6920fef0ea577a | \n",
" chemCPA/experiments_run.py | \n",
" 👾🧪_baseline_comparison | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" chemical_CPA | \n",
" /home/icb/leon.hetzel/git/chemCPA_v2 | \n",
" [[chemCPA/profiling.py, 62e5be92ced508a4b08482... | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" python chemCPA/experiments_run.py with overwri... | \n",
" /tmp/76be81f3-bfec-42a4-b94f-7aba4d451b42 | \n",
" 208 | \n",
" baseline_comparison | \n",
" cell_type | \n",
" project_folder/datasets/adata_baseline_high_do... | \n",
" lincs_DEGs | \n",
" dose | \n",
" cov_drug_dose_name | \n",
" condition | \n",
" SMILES | \n",
" split_baseline_MCF7 | \n",
" True | \n",
" trapnell | \n",
" ReLU | \n",
" amortized | \n",
" 50 | \n",
" 1337 | \n",
" False | \n",
" project_folder/embeddings | \n",
" rdkit | \n",
" False | \n",
" 4 | \n",
" 0.004921 | \n",
" 2 | \n",
" 2.142302e-04 | \n",
" 256 | \n",
" 4 | \n",
" 0.005399 | \n",
" 3.967605e-06 | \n",
" 256 | \n",
" 32 | \n",
" 32 | \n",
" 0.005399 | \n",
" 3.967605e-06 | \n",
" 0.262378 | \n",
" 1.220776 | \n",
" 24.415530 | \n",
" 34.312906 | \n",
" 0 | \n",
" 50 | \n",
" False | \n",
" ff420aea264fca7668ecb147f60762a1 | \n",
" a7060ac4e2c6154e64a13acd414cbba2 | \n",
" 4f061dbfc7af05cf84f06a724b0c8563 | \n",
" project_folder/checkpoints | \n",
" ./ | \n",
" False | \n",
" 25 | \n",
" False | \n",
" 1200 | \n",
" 201 | \n",
" True | \n",
" False | \n",
" True | \n",
" False | \n",
" True | \n",
" project_folder/checkpoints | \n",
" 92755728 | \n",
" [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13,... | \n",
" [200] | \n",
" [-2737.1312712398358, -4169.115693244617, -440... | \n",
" [16587.177933216095, 16451.451241970062, 16441... | \n",
" [3429.402607791126, 3479.383859217167, 3477.30... | \n",
" [39.635207791962785, 0.011837810839072205, 0.0... | \n",
" [0.27361948638956735, 0.00041216805076210034, ... | \n",
" [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, ... | \n",
" 180.591161 | \n",
" [0.12964585423469543] | \n",
" [0.09922861150070127] | \n",
" [[0.6553295850753784]] | \n",
" [[0.49500349164009094]] | \n",
" [[0.8876676318217103, 0.8241324663811284, 0.84... | \n",
" [[0.6938806400073702, 0.6739577627300624, 0.51... | \n",
" [[0.4477141698201497, 0.1976391077041626, 0.46... | \n",
" 200 | \n",
" 3.0 | \n",
" 64.0 | \n",
" 4.0 | \n",
" 128.0 | \n",
"
\n",
" \n",
" 88 | \n",
" 209 | \n",
" ee9b2904e78e3b952257d13f3db44cbd | \n",
" chemCPA/experiments_run.py | \n",
" 👾🧪_baseline_comparison | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" chemical_CPA | \n",
" /home/icb/leon.hetzel/git/chemCPA_v2 | \n",
" [[chemCPA/profiling.py, 62e5be92ced508a4b08482... | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" python chemCPA/experiments_run.py with overwri... | \n",
" /tmp/1cf39964-f2e8-4cc2-84d3-23427a22e435 | \n",
" 209 | \n",
" baseline_comparison | \n",
" cell_type | \n",
" project_folder/datasets/adata_baseline_high_do... | \n",
" lincs_DEGs | \n",
" dose | \n",
" cov_drug_dose_name | \n",
" condition | \n",
" SMILES | \n",
" split_baseline_MCF7 | \n",
" True | \n",
" trapnell | \n",
" ReLU | \n",
" amortized | \n",
" 50 | \n",
" 1337 | \n",
" False | \n",
" project_folder/embeddings | \n",
" rdkit | \n",
" False | \n",
" 2 | \n",
" 0.001208 | \n",
" 3 | \n",
" 1.012920e-05 | \n",
" 256 | \n",
" 4 | \n",
" 0.001593 | \n",
" 6.358359e-07 | \n",
" 256 | \n",
" 32 | \n",
" 32 | \n",
" 0.001593 | \n",
" 6.358359e-07 | \n",
" 0.262378 | \n",
" 0.459190 | \n",
" 9.183798 | \n",
" 16.277694 | \n",
" 0 | \n",
" 50 | \n",
" False | \n",
" ff420aea264fca7668ecb147f60762a1 | \n",
" a7060ac4e2c6154e64a13acd414cbba2 | \n",
" 4f061dbfc7af05cf84f06a724b0c8563 | \n",
" project_folder/checkpoints | \n",
" ./ | \n",
" False | \n",
" 25 | \n",
" False | \n",
" 1200 | \n",
" 201 | \n",
" True | \n",
" False | \n",
" True | \n",
" False | \n",
" True | \n",
" project_folder/checkpoints | \n",
" 720218878 | \n",
" [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13,... | \n",
" [200] | \n",
" [-3541.048702847678, -4122.302563448437, -4303... | \n",
" [16753.814338684082, 16619.73931121826, 16557.... | \n",
" [4074.214691400528, 3540.7648383378983, 3557.1... | \n",
" [9.068377614676137, 0.3368288650253817, 0.1803... | \n",
" [0.3855132060361939, 0.00753842080550271, 0.00... | \n",
" [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, ... | \n",
" 153.073008 | \n",
" [0.12237026542425156] | \n",
" [0.09922861150070127] | \n",
" [[0.9181275963783264]] | \n",
" [[0.49500349164009094]] | \n",
" [[0.91285454902372, 0.871467328547566, 0.86190... | \n",
" [[0.7247852542210574, 0.7310491205744483, 0.52... | \n",
" [[0.726290418042077, 0.5543480449252658, 0.643... | \n",
" 200 | \n",
" 3.0 | \n",
" 64.0 | \n",
" 4.0 | \n",
" 128.0 | \n",
"
\n",
" \n",
" 89 | \n",
" 210 | \n",
" 875ad00f965fc90909f8f60e57641f7d | \n",
" chemCPA/experiments_run.py | \n",
" 👾🧪_baseline_comparison | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" chemical_CPA | \n",
" /home/icb/leon.hetzel/git/chemCPA_v2 | \n",
" [[chemCPA/profiling.py, 62e5be92ced508a4b08482... | \n",
" /storage/groups/ml01/projects/2021_chemicalCPA... | \n",
" python chemCPA/experiments_run.py with overwri... | \n",
" /tmp/1cf39964-f2e8-4cc2-84d3-23427a22e435 | \n",
" 210 | \n",
" baseline_comparison | \n",
" cell_type | \n",
" project_folder/datasets/adata_baseline_high_do... | \n",
" lincs_DEGs | \n",
" dose | \n",
" cov_drug_dose_name | \n",
" condition | \n",
" SMILES | \n",
" split_baseline_MCF7 | \n",
" True | \n",
" trapnell | \n",
" ReLU | \n",
" amortized | \n",
" 50 | \n",
" 1337 | \n",
" False | \n",
" project_folder/embeddings | \n",
" rdkit | \n",
" False | \n",
" 3 | \n",
" 0.002129 | \n",
" 2 | \n",
" 3.470267e-05 | \n",
" 256 | \n",
" 4 | \n",
" 0.002607 | \n",
" 1.331122e-06 | \n",
" 256 | \n",
" 32 | \n",
" 32 | \n",
" 0.002607 | \n",
" 1.331122e-06 | \n",
" 0.262378 | \n",
" 0.681310 | \n",
" 13.626200 | \n",
" 21.992715 | \n",
" 0 | \n",
" 50 | \n",
" False | \n",
" ff420aea264fca7668ecb147f60762a1 | \n",
" a7060ac4e2c6154e64a13acd414cbba2 | \n",
" 4f061dbfc7af05cf84f06a724b0c8563 | \n",
" project_folder/checkpoints | \n",
" ./ | \n",
" False | \n",
" 25 | \n",
" False | \n",
" 1200 | \n",
" 201 | \n",
" True | \n",
" False | \n",
" True | \n",
" False | \n",
" True | \n",
" project_folder/checkpoints | \n",
" 458306566 | \n",
" [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13,... | \n",
" [200] | \n",
" [-3136.0531881402712, -4102.523001439869, -435... | \n",
" [16603.64946746826, 16465.499509334564, 16448.... | \n",
" [3362.6479460299015, 3475.0489124059677, 3478.... | \n",
" [15.629452769775526, 0.3167679122773279, 0.174... | \n",
" [0.42230633107513427, 0.0012042550457440626, 0... | \n",
" [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, ... | \n",
" 163.621413 | \n",
" [0.1239481046795845] | \n",
" [0.09922861150070127] | \n",
" [[0.730189323425293]] | \n",
" [[0.49500349164009094]] | \n",
" [[0.9115484491017682, 0.8638789025279009, 0.86... | \n",
" [[0.7223709870630236, 0.7194061618835772, 0.54... | \n",
" [[0.7158305446306864, 0.5382094184557596, 0.70... | \n",
" 200 | \n",
" 3.0 | \n",
" 64.0 | \n",
" 4.0 | \n",
" 128.0 | \n",
"
\n",
" \n",
"