datamol.io

Results 5 repositories owned by datamol.io

graphium

150
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Graphium: Scaling molecular GNNs to infinity.

medchem

38
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3
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Molecular filtering for drug discovery.

molfeat

153
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14
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molfeat - the hub for all your molecular featurizers

safe

43
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3
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A single model for all your molecular design tasks