Alternatives and similar repositories for step-wise-chemical-synthesis-prediction

Users that are interested in step-wise-chemical-synthesis-prediction are comparing it to the libraries listed below

• michael1788 / hybridCLMs
  Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»
  ☆11Updated 3 years ago
• oddt / notebooks
  Open Drug Discovery Toolkit (ODDT) Notebooks 101
  ☆19Updated 7 years ago
• filipsPL / ABChemoinformatics
  ABC of chemoinformatics
  ☆18Updated 7 years ago
• capoe / libpqr
  Bias-controlled 3D generative framework for structure-based ligand design
  ☆17Updated 2 years ago
• MarcusOlivecrona / MolExplorer
  A lightweight visualization tool for molecules and their properties
  ☆15Updated 8 years ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆21Updated 4 years ago
• iwatobipen / vs_vina
  ☆13Updated 4 years ago
• Laboratoire-de-Chemoinformatique / hyfactor
  Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".
  ☆18Updated 2 years ago
• dkoes / GNINA-1.0
  Paper for release
  ☆11Updated 4 years ago
• MolecularAI / route-distances
  Tools and routines to calculate distances between synthesis routes and to cluster them.
  ☆27Updated 6 months ago
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆22Updated 2 years ago
• uibcdf / PyPharmer
  Python API for Pharmer
  ☆12Updated 6 years ago
• NRGlab / FlexAID
  Flexible Artificial Intelligence Docking
  ☆17Updated 2 months ago
• czodrowskilab / pka
  ☆10Updated 6 years ago
• schwallergroup / fsscore
  ☆20Updated last year
• fimrie / DEVELOP
  ☆14Updated 3 years ago
• LumosBio / MolData
  A Molecular Benchmark for Disease and Target Based Machine Learning
  ☆25Updated 3 years ago
• wiederm / pkasolver-data
  Data repository for pkasolver
  ☆13Updated 3 years ago
• czodrowskilab / Multiprotic-pKa-Processing
  ☆14Updated 3 years ago
• alexarnimueller / SMILES_generator
  Generative RNN for molecule de novo design
  ☆19Updated 3 years ago
• Shen-Lab / BAL
  Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking
  ☆13Updated 4 years ago
• dkoes / conformer_analysis
  ☆17Updated 2 years ago
• ljmartin / dockviz
  docking visualization with py3dmol and streamlit
  ☆24Updated 4 years ago
• zoecournia / FEPrepare
  ☆10Updated 4 years ago
• cyclica / deriver
  ☆11Updated 2 years ago
• xiaotaw / chembl
  Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.
  ☆15Updated 7 years ago
• pzc / herg_chembl_jcim
  RDKit code for the JCIM article
  ☆17Updated 12 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
• iwatobipen / chemo_info
  ☆31Updated 6 months ago
• samoturk / mol2vec_notebooks
  Mol2vec notebooks for use with Binder service
  ☆29Updated 7 years ago