Library/deepchem
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deepchem/deepchem

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

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deepchem

deepchem

deepchem • individual

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Created

Sep 24, 2015

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README Summary

DeepChem is a Python library that democratizes the use of deep learning for scientific applications including drug discovery, quantum chemistry, materials science, and biology. It provides a comprehensive suite of tools and models for molecular machine learning, making advanced AI techniques accessible to researchers and practitioners in these domains. The library offers pre-built models, datasets, and utilities for common computational chemistry and biology tasks.

AI Dev Skills

Unmapped

Graph Neural NetworksMolecular Representation LearningChemical Property PredictionDeep Learning for ChemistryFeature Engineering for MoleculesQuantum Chemistry MLMaterials InformaticsQSAR ModelingMolecular DescriptorsCheminformatics

Tags

Graph Neural NetworksMolecular Representation LearningChemical Property PredictionDeep Learning for ChemistryFeature Engineering for MoleculesQuantum Chemistry MLMaterials InformaticsQSAR ModelingMolecular DescriptorsCheminformaticsChemical Reaction Prediction3DPhysics-Informed MLBiotechnologyMaterials Property PredictionChemical GraphsDomain-Specific AIVirtual ScreeningScientific AIMaterials ScienceCloud ComputingAcademic ResearchQuantum Chemistry CalculationsDrug Discovery and DevelopmentChemical ManufacturingSelf-hostedTabularMolecular Property PredictionADMET PredictionMolecular StructuresResearch ComputingPharmaceuticalChemical Toxicity AssessmentPython

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Updated 1 months ago

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production
Quality
high
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production

Categories

Safety & AlignmentPrimaryHealthcare & BiologyEdge & Mobile AISearch & KnowledgeOther AI / MLLearning ResourcesIndustry: Healthcare

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Languages

Python100.0%

Timeline

Project created
Sep 24, 2015
Forked
Mar 22, 2026
Your last push
1 months ago
Upstream last push
1 months ago
Tracked since
Mar 2, 2026

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