zulissimeta commited on
Commit
4a19067
·
1 Parent(s): 14a106d

more small changes

Browse files
Files changed (1) hide show
  1. app.py +25 -12
app.py CHANGED
@@ -134,6 +134,7 @@ def main():
134
  label="UMA Overview",
135
  show_share_button=False,
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  show_download_button=False,
 
137
  )
138
 
139
  gr.Markdown(
@@ -214,7 +215,6 @@ def main():
214
  These next examples are designed to show how the UMA model can be applied to different domains and types of structures, and how different model inputs can impact the results!
215
  * As you try each one, look at how the inputs change below, and the simulation outputs change on the right
216
  * Each UMA task corresponds to a different domain of chemistry, and a different Density Functional Theory (DFT) code and level of theory that was used for the training data.
217
- * Feel free to try changing some of the settings below and re-run the simulations to see how the results can vary!
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  """
219
  )
220
  gr.Examples(
@@ -552,7 +552,12 @@ def main():
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  )
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554
  gr.Markdown(
555
- "Once you understand how the UMA model can be applied to different types of molecules and materials, the final tab above will help you try it out with your own structures! "
 
 
 
 
 
556
  )
557
 
558
  with gr.Tab("3. Try UMA on your structures!"):
@@ -562,7 +567,7 @@ def main():
562
 
563
  To use a custom input structure with this demo:
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  1. [Request gated model access.](https://huggingface.co/facebook/UMA) Requests for model access are typically processed within a matter of minutes.
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- 2. Login to Hugging Face using the "Sign in with Hugging Face button" in the .
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  3. Then upload a structure file below and click run!
567
 
568
  * Note that uploaded structure will be stored by this demo to analyze model usage and identify domains where model accuracy can be improved.
@@ -621,22 +626,30 @@ def main():
621
  * Ab-initio calculations are not perfect. You should always consider the limitations of the level of theory, the code, and the pseudopotentials.
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  """
623
  )
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- with gr.Accordion(
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- "How long should I wait for this simulation?", open=False
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- ):
 
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  gr.Markdown(
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  """
629
- * Every calculation uses a pool of GPUs to process simulations for all current users. You can achieve much higher performance with a dedicated GPU and MD-mode enabled.
630
  * Most simulation should finish within a few minutes. Example results are cached, and if you are running a custom simulation you can follow the progress bar
631
  * if you don't see progress or the simulation takes more than ~5min, probably there was an error and please try submitting again.
632
  * If you notice any issues please submit them as issues on the [FAIR Chemistry GitHub](https://github.com/facebookresearch/fairchem).
633
- """
 
 
 
 
 
 
 
634
  )
635
 
636
  gr.Markdown("## Simulation inputs")
637
 
638
  with gr.Column(variant="panel"):
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- gr.Markdown("### 1. Example structure (or upload your own!)")
640
  with gr.Row():
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  with gr.Column():
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  input_structure.render()
@@ -645,9 +658,9 @@ def main():
645
 
646
  gr.Markdown(
647
  """
648
- To use your own structures, you need access to the [gated UMA model repository](https://huggingface.co/facebook/UMA) and you need to login with the button above.
649
- * See the final tab above '3. Try UMA with your own structures!' for more details and debugging steps!
650
- * Note that uploaded structure will be stored by this demo to analyze model usage and identify domains where model accuracy can be improved.
651
  * If you get a redirect error when logging in, please try visiting the direct demo url in a new tab(https://facebook-fairchem-uma-demo.hf.space/) and try again
652
 
653
  """
 
134
  label="UMA Overview",
135
  show_share_button=False,
136
  show_download_button=False,
137
+ show_label=False
138
  )
139
 
140
  gr.Markdown(
 
215
  These next examples are designed to show how the UMA model can be applied to different domains and types of structures, and how different model inputs can impact the results!
216
  * As you try each one, look at how the inputs change below, and the simulation outputs change on the right
217
  * Each UMA task corresponds to a different domain of chemistry, and a different Density Functional Theory (DFT) code and level of theory that was used for the training data.
 
218
  """
219
  )
220
  gr.Examples(
 
552
  )
553
 
554
  gr.Markdown(
555
+ """
556
+
557
+ Feel free to try changing some of the settings below and re-run the simulations to see how the results can vary.
558
+
559
+ Once you understand how the UMA model can be applied to different types of molecules and materials, the final tab above will help you try it out with your own structures!
560
+ """
561
  )
562
 
563
  with gr.Tab("3. Try UMA on your structures!"):
 
567
 
568
  To use a custom input structure with this demo:
569
  1. [Request gated model access.](https://huggingface.co/facebook/UMA) Requests for model access are typically processed within a matter of minutes.
570
+ 2. Login to Hugging Face using the "Sign in with Hugging Face button" in the inputs button.
571
  3. Then upload a structure file below and click run!
572
 
573
  * Note that uploaded structure will be stored by this demo to analyze model usage and identify domains where model accuracy can be improved.
 
626
  * Ab-initio calculations are not perfect. You should always consider the limitations of the level of theory, the code, and the pseudopotentials.
627
  """
628
  )
629
+
630
+ gr.Markdown("## Debugging")
631
+
632
+ with gr.Accordion("Simulation took >5min", open=False):
633
  gr.Markdown(
634
  """
635
+ * Every calculation uses a pool of GPUs to process simulations for all current users. You can achieve much higher performance with a dedicated GPU and MD-mode enabled.
636
  * Most simulation should finish within a few minutes. Example results are cached, and if you are running a custom simulation you can follow the progress bar
637
  * if you don't see progress or the simulation takes more than ~5min, probably there was an error and please try submitting again.
638
  * If you notice any issues please submit them as issues on the [FAIR Chemistry GitHub](https://github.com/facebookresearch/fairchem).
639
+ """
640
+ )
641
+
642
+ with gr.Accordion("Redirect error on login", open=False):
643
+ gr.Markdown(
644
+ """
645
+ * If you notice a redirect error when clicking the login to Huggingface button, open a new tab and go to the direct demo url (https://facebook-fairchem-uma-demo.hf.space/) and try again!
646
+ """
647
  )
648
 
649
  gr.Markdown("## Simulation inputs")
650
 
651
  with gr.Column(variant="panel"):
652
+ gr.Markdown("### 1. Input structure (example or upload your own!)")
653
  with gr.Row():
654
  with gr.Column():
655
  input_structure.render()
 
658
 
659
  gr.Markdown(
660
  """
661
+ To use your own structures, you need access to the [gated UMA model repository](https://huggingface.co/facebook/UMA) and you need to login with the button above. See the final tab above '3. Try UMA with your own structures!' for more details and debugging steps!
662
+
663
+ Note that uploaded structure will be stored by this demo to analyze model usage and identify domains where model accuracy can be improved.
664
  * If you get a redirect error when logging in, please try visiting the direct demo url in a new tab(https://facebook-fairchem-uma-demo.hf.space/) and try again
665
 
666
  """