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swansonk14
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SyntheMol
Combinatorial antibiotic generation
MIT License
97
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19
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Issue Encountered While Replicating Results Using Chemprop Models
#21
ylyzz21
opened
2 weeks ago
1
reaction_to_building_blocks.pkl
#20
jinzhezhang
closed
1 month ago
4
Missing build_block smiles in results from the step of 'Generate molecules with SyntheMol'
#19
JieHou-SLU
closed
1 month ago
8
The computation of scores for molecules is taking long time
#18
545487677
closed
4 months ago
3
Fixing chemprop version and bump version to 1.0.4
#17
swansonk14
closed
5 months ago
0
Chemprop version incompatible in requirements.txt and setup.py
#16
Stella-zjy
closed
4 months ago
2
synthemol with docking and seh
#15
andreirekesh
closed
6 months ago
0
Increment version to 1.0.3 for chemprop version fix
#14
swansonk14
closed
7 months ago
0
Specifying chemprop version as 1.6.1 to prevent errors with chemprop …
#13
swansonk14
closed
7 months ago
0
Question: how to use chemprop-RDKit models?
#12
Evert-Homan
closed
5 months ago
1
chemprop_predict gives libcupti.so errors
#11
Evert-Homan
closed
6 months ago
2
Installed questions
#10
yuyadanyadan
closed
7 months ago
2
Fixing antibiotics MCTS reproduce commands
#9
swansonk14
closed
8 months ago
0
AttributeError: 'int' object has no attribute 'GetAtoms'
#8
jklyu0824
closed
8 months ago
4
Duplicate Reactions
#7
OliverBScott
closed
8 months ago
2
Fix use_gpu in chemprop_predict
#6
swansonk14
closed
8 months ago
0
no use_gpu option in the function of chemprop_predict
#5
jklyu0824
closed
8 months ago
1
Updating README with NMI paper information
#4
swansonk14
closed
8 months ago
0
Updating zenodo link
#3
swansonk14
closed
12 months ago
0
Documentation fix
#2
swansonk14
closed
12 months ago
0
added two new scripts
#1
jennxu23
closed
1 year ago
0