Alternatives and similar repositories for molvec:

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

• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆68Updated last month
• connorcoley / scscore
  ☆95Updated 4 years ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆71Updated 4 months ago
• OBrink / DECIMER.ai
  This repository contains the code for https://decimer.ai
  ☆42Updated last year
• edbeard / ChemSchematicResolver
  Python toolkit for resolving chemical schematic diagrams.
  ☆40Updated 5 years ago
• Merck / matcher
  Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…
  ☆59Updated last year
• thomas0809 / RxnScribe
  A Sequence Generation Model for Reaction Diagram Parsing
  ☆71Updated last year
• Laboratoire-de-Chemoinformatique / Reaction_Data_Cleaning
  Chemical reaction data cleaning
  ☆30Updated 3 years ago
• CrystalEye42 / OpenChemIE
  ☆69Updated 9 months ago
• lmmpf / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆75Updated last year
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆76Updated last year
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆79Updated 3 months ago
• dmw51 / reactiondataextractor2
  This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes
  ☆26Updated last year
• cimm-kzn / CGRtools
  CGRs, molecules and reactions manipulation
  ☆46Updated 2 years ago
• reymond-group / RAscore
  Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
  ☆82Updated 3 years ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆73Updated last year
• kotori-y / pySmash
  Smash molecule and obtain significant fragments
  ☆17Updated 3 years ago
• thsa / datawarrior
  Interactive data analysis and visualisation with chemical intelligence
  ☆110Updated 3 weeks ago
• chython / chython
  Library for processing molecules and reactions in python way
  ☆43Updated 2 months ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆66Updated last week
• Steinbeck-Lab / cheminformatics-microservice
  This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.
  ☆38Updated last week
• kienerj / pycdxml
  Tools to automatically convert and proccess cdx and cdxml files in python
  ☆42Updated 10 months ago
• EliLillyCo / LillyMol
  LillyMol Public Code
  ☆102Updated 8 months ago
• yanfeiguan / reactivity_predictions_substitution
  Platforms to predict reactivity for substitution reactions.
  ☆19Updated 3 years ago
• pandegroup / reaction_prediction_seq2seq
  ☆66Updated 5 years ago
• CYF2000127 / MolNexTR
  This is the official code of the MolNexTR
  ☆40Updated 6 months ago
• Coughy1991 / Reaction_condition_recommendation
  Code for training machine learning model for reaction condition prediction
  ☆41Updated 4 years ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆41Updated 4 years ago
• dan2097 / patent-reaction-extraction
  Text mining of chemical reactions
  ☆98Updated 5 months ago
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆31Updated 4 years ago