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microsoft
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molskill
Extracting medicinal chemistry intuition via preference machine learning
MIT License
99
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feat: data for r1
#14
josejimenezluna
closed
1 year ago
0
[Improvement] Adds scores to the example provided in the readme.md
#13
miguelgondu
opened
1 year ago
0
fix: rdkit 2023.03.1 support
#12
josejimenezluna
closed
1 year ago
0
Model size mismatch when loading defaults
#11
miguelgondu
closed
1 year ago
4
Hide progress bar when not in verbose mode
#9
chajath
closed
1 year ago
1
chore: Support for py310
#8
josejimenezluna
closed
1 year ago
0
chore: simplified featurizer logic
#7
josejimenezluna
closed
1 year ago
0
Getting segfault's from workers, but not sure what's causing it
#6
rajarshi
opened
1 year ago
4
chore: environment cleaning
#5
josejimenezluna
closed
1 year ago
0
Issues with train.py script
#4
MKCarter
closed
1 year ago
10
MolSkillScorer.score returns nan for "unusual" atom types
#3
PatWalters
opened
1 year ago
2
MolSkillScorer.score returns nan for SMILES containing multiple fragments
#2
PatWalters
closed
1 year ago
2
updated README
#1
josejimenezluna
closed
1 year ago
0