AstraZeneca/chemicalx

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Add the CASTER model

benedekrozemberczki opened this issue 3 years ago · 0 comments

benedekrozemberczki commented 3 years ago

benedek

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biology chemistry deep-chemistry deep-learning drug drug-discovery drug-interaction drug-pair geometric-deep-learning geometry graph-neural-network machine-learning pharma polypharmacy pytorch smiles smiles-strings torch torchdrug

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