Alternatives and similar repositories for molvec

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

• OBrink / DECIMER.ai
  This repository contains the code for https://decimer.ai
  ☆52Updated last year
• connorcoley / scscore
  ☆107Updated 4 years ago
• Kohulan / DECIMER-Image-Segmentation
  Chemical structure detection and segmentation tool for Journal articles.
  ☆127Updated last month
• Merck / matcher
  Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…
  ☆63Updated last year
• bayer-science-for-a-better-life / Img2Mol
  ☆122Updated 2 years ago
• dmw51 / reactiondataextractor2
  This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes
  ☆29Updated 2 years ago
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆76Updated 3 weeks ago
• dan2097 / patent-reaction-extraction
  Text mining of chemical reactions
  ☆111Updated last year
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆82Updated 4 months ago
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆83Updated 10 months ago
• lmmpf / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆79Updated 2 years ago
• reymond-group / RAscore
  Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
  ☆90Updated 4 years ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆91Updated last year
• KeenThera / SECSE
  Systemic Evolutionary Chemical Space Exploration for Drug Discovery
  ☆86Updated 2 months ago
• kienerj / pycdxml
  Tools to automatically convert and proccess cdx and cdxml files in python
  ☆54Updated last year
• czodrowskilab / Machine-learning-meets-pKa
  ☆77Updated 2 years ago
• onecoinbuybus / chemoinformatics
  ☆50Updated 2 years ago
• pandegroup / reaction_prediction_seq2seq
  ☆66Updated 5 years ago
• EliLillyCo / LillyMol
  LillyMol Public Code
  ☆120Updated 2 months ago
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆33Updated 4 years ago
• CrystalEye42 / OpenChemIE
  ☆84Updated last year
• yanfeiguan / reactivity_predictions_substitution
  Platforms to predict reactivity for substitution reactions.
  ☆20Updated 4 years ago
• PKUMDL-AI / AutoSynRoute
  ☆45Updated 5 years ago
• uibcdf / OpenPharmacophore
  An open library to work with pharmacophores.
  ☆48Updated 2 years ago
• MolecularAI / Lib-INVENT
  ☆58Updated 2 years ago
• kotori-y / pySmash
  Smash molecule and obtain significant fragments
  ☆19Updated 4 years ago
• cosconatilab / PyRMD
  AI-powered Virtual Screening
  ☆85Updated 2 years ago
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆130Updated this week
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆94Updated 3 weeks ago
• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆149Updated 11 months ago