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Upload main.py
cd9cc79
fixed map paths
096a065
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0150901
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user permissions
2344d73
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added /data
e95bb5a
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added data/
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added user
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changed path
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PYTHONPATH
9ef616c
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testing AMBERHOME env
6921a2b
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Update requirements.txt
eb48947
Add pytraj to requirements
ce29497
Add AMBER path
23cc17e
Fix pdb_file bug
4afef57
preprocessing for inference (#6)
9a3c969
Move requirements after copying
4bc7057
Update Dockerfile
e0000d4
Move dependencies to requirements.txt (#5)
7c3c492
Enable from PDB id
3ee83c0
Update visualizer background
3ed3216
Set white background
09c8e65
Apply fix from upstream protein_adaptability
eb1f61c
Revert to gradio run
55b453f
Launch server on port 7860
ea795dd
trying out fixes for build timeout
0f32967
Remove timezone set
6f870ad
Build from public docker image
6a7f9b3
Add biopython and pandas
b03ab9b
Add py3Dmol dependency in Dockerfile
2b883e9
from gradio demo
dea771b
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pwd
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container
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from gradio
b55971a
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dockerfile user
8d4e327
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scripts from other repo
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dockerfile
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dockerfile
8c87c7b
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added requirements
4625970
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added ambertools
d59db4b
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initial commit
b879795
Erinc
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