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Topics: computational-chemistry

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2 repositories by Attention Score · Oct 27, 2026 – Nov 2, 2026 (UTC)

Language: Python
Topic: computational-chemistry
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1.Mariewelt / OpenChem

OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

computational-chemistry
computational-biology
deep-learning
deep-neural-networks
graph-convolutional-networks
drug-discovery
+5 more

Python MIT759 total118 forks

+3 stars

from 756 · score 1.39

2.cclib / cclib

Parsers and algorithms for computational chemistry logfiles

python
computational-chemistry
quantum-chemistry

Python BSD-3-CLAUSE432 total195 forks

+1 stars

from 431 · score 0.69

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