Reporium
GraphWikiTaxonomyStacksInsightsTrendsArchitectureAI-NativeFAQ
Ask anything about the repo library…
Loading repo…
←Library/deepchem
Library/deepchemForked

deepchem/deepchem

deepchem

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

View on GitHub↗Upstream deepchem/deepchem↗

Builder

deepchem

deepchem

deepchem • individual

Stars

6,773

Using upstream star count

Forks

2,242

Using upstream fork count

Open Issues

0

Activity Score

0/100

0 commits in 30d

Created

Sep 24, 2015

Project creation date

README Summary

# DeepChem [![Anaconda-Server Badge](https://anaconda.org/conda-forge/deepchem/badges/version.svg)](https://anaconda.org/conda-forge/deepchem) [![PyPI version](https://badge.fury.io/py/deepchem.svg)](https://pypi.org/project/deepchem/) [![Documentation Status](https://readthedocs.org/projects/deepchem/badge/?version=latest)](https://deepchem.readthedocs.io/en/latest/?badge=latest) [![Test for DeepChem Core](https://github.com/deepchem/deepchem/workflows/Test%20for%20DeepChem%20Core/badg

Community Evaluation

Loading…

AI Dev Skills

Unmapped

Chemical Property PredictionCheminformaticsDeep Learning for ChemistryFeature Engineering for MoleculesGraph Neural NetworksMaterials InformaticsMolecular DescriptorsMolecular Representation LearningQSAR ModelingQuantum Chemistry ML

Tags

Chemical Property PredictionCheminformaticsDeep Learning for ChemistryFeature Engineering for MoleculesGraph Neural NetworksMaterials InformaticsMolecular DescriptorsMolecular Representation LearningQSAR ModelingQuantum Chemistry MLCourseCurated ListData ScienceDeep LearningDockerEvalsForkedGPU / CUDAMachine LearningNumPyOpen SourcePandasPyTorchPythonScikit-learnTensorFlowTutorialWeights & Biases

Taxonomy

AI Trends

Scientific AIGraph Neural NetworksPhysics-Informed MLDomain-Specific AI

category

Learning ResourcesModel TrainingEvals & BenchmarkingObservability & MonitoringInference & ServingMLOps & InfrastructureData Science & Analytics

Deployment Context

Self-hostedCloud ComputingResearch Computing

Industries

PharmaceuticalBiotechnologyMaterials ScienceChemical ManufacturingAcademic Research

Modalities

Molecular StructuresChemical GraphsTabular3D

Skill Areas

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

tag

CourseCurated ListData ScienceDeep LearningDockerEvalsForkedGPU / CUDAMachine LearningNumPyOpen SourcePandasPyTorchPythonScikit-learnTensorFlowTutorialWeights & Biases

Use Cases

Drug Discovery and DevelopmentMolecular Property PredictionChemical Toxicity AssessmentMaterials Property PredictionQuantum Chemistry CalculationsADMET PredictionVirtual ScreeningChemical Reaction Prediction

Recent Activity

Updated 3 months ago

7 Days

0

30 Days

0

90 Days

0

Periodic Boundary Condition PR-1 (#4671)

Rakshit Kumar Singh • Feb 20, 2026

95a512b

Quality

production
Quality
high
Maturity
production

Categories

Learning ResourcesPrimaryEvals & BenchmarkingObservability & MonitoringInference & ServingMLOps & InfrastructureData Science & AnalyticsModel TrainingSafety & AlignmentOther AI / ML

PM Skills

Scale & ReliabilityData & Evaluation

Languages

Python100.0%

Timeline

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

Similar Repos

pgvector cosine similarity · $0

Loading…