Alternatives and similar repositories for OCEAN

Users that are interested in OCEAN are comparing it to the libraries listed below

• rdkit / CheTo
  CheTo - Chemical Topic Modeling
  ☆32Updated 4 years ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆21Updated 4 years ago
• wenhao-gao / askcos_synthesizability
  ☆28Updated 3 years ago
• baoilleach / partialsmiles
  A validating SMILES parser, with support for incomplete SMILES
  ☆29Updated 10 months ago
• aretasg / dockit
  High-throughput molecular docking with multiple targets and ligands using Vina series engines
  ☆33Updated 5 years ago
• reymond-group / PeptideDesignGA
  ☆17Updated 5 years ago
• lukasturcani / vabene
  Make valid molecular graphs!
  ☆23Updated last year
• RekerLab / DeepDelta
  DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…
  ☆46Updated last year
• rdkit / UGM_2019
  ☆16Updated 6 years ago
• sirimullalab / openDMPK
  Open Drug Metabolism & PharmacoKinetics (OpenDMPK) is an open source data resource and toolkit for predicting drug metabolism and pharmac…
  ☆26Updated 3 years ago
• CCBatIIT / AlGDock
  Molecular docking with Alchemical Interaction Grids
  ☆30Updated last month
• chennnnnyize-zz / Generative-Molecules
  ☆31Updated 7 years ago
• Laboratoire-de-Chemoinformatique / hyfactor
  Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".
  ☆18Updated 2 years ago
• nanxstats / logd74
  A high-quality hand-curated logD7.4 dataset of 1,130 compounds
  ☆22Updated 8 years ago
• UnixJunkie / smi2sdf3d
  3D diverse conformers generation using rdkit
  ☆23Updated 3 years ago
• rdkit / UGM_2016
  Materials from the 2016 RDKit UGM
  ☆41Updated 8 years ago
• ljmartin / dockop
  faster docking
  ☆19Updated 4 years ago
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆58Updated this week
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆38Updated 3 months ago
• capoe / libpqr
  Bias-controlled 3D generative framework for structure-based ligand design
  ☆17Updated 3 years ago
• choderalab / ensembler
  Automated omics-scale protein modeling and simulation setup.
  ☆53Updated 4 years ago
• lewisacidic / scikit-chem
  A high level cheminformatics package for the Scientific Python stack, built on RDKit.
  ☆65Updated 5 years ago
• AZCompTox / AZOrange
  AstraZeneca add-ons to Orange.
  ☆23Updated 5 years ago
• volkamerlab / maxsmi
  maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
  ☆34Updated last year
• rdkit / conda-rdkit
  Conda build recipe for the rdkit
  ☆51Updated 3 years ago
• chembience / chembience
  A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.
  ☆46Updated 6 months ago
• Accio / AMIDD
  Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)
  ☆32Updated last week
• flatkinson / standardiser
  Molecular standardisation tool
  ☆77Updated 5 years ago
• AlzbetaTuerkova / Drug-Repurposing-in-KNIME
  An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data
  ☆15Updated 5 years ago
• Faezov / PDBrenum
  ☆30Updated 6 months ago