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→ ecrl
2 open source projects by ecrl
[ Open user page on Github ]
1.
graphchem
Graph-based machine learning for chemical property prediction
✭ 21
python
pytorch
computational-chemistry
rdkit
message-passing
graph-neural-networks
pytorch-geometric
2.
padelpy
A Python wrapper for PaDEL-Descriptor software
✭ 121
python
computational-chemistry
padel
molecular-fingerprints
command-line-wrapper
molecular-descriptors
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2
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