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Topics: molecule

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3 repositories by Attention Score · Aug 5, 2026 – Nov 2, 2026 (UTC)

Language: Python
Topic: molecule
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1.datamol-io / datamol

Molecular Processing Made Easy.

python
molecule
rdkit
drug-discovery
drug-design
molecules
+2 more

Python APACHE-2.0557 total66 forks

+18 stars

from 539 · score 2.94

2.awslabs / dgl-lifesci

Python package for graph neural networks in chemistry and biology

deep-learning
graph-neural-networks
dgl
cheminformatics
bioinformatics
geometric-deep-learning
+2 more

Python APACHE-2.0812 total163 forks

+5 stars

from 807 · score 1.79

3.chao1224 / ChatDrug

LLM for Drug Editing, ICLR 2024

chatgpt
conversation
drug
drug-discovery
editing
molecule
+11 more

Python No license163 total10 forks

+2 stars

from 161 · score 1.10

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