Alternatives and similar repositories for global-chem

Users that are interested in global-chem are comparing it to the libraries listed below

• sustainable-processes / ORDerly
  Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)
  ☆106Updated last month
• JacksonBurns / py2opsin
  Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature
  ☆63Updated 7 months ago
• volkamerlab / ai_in_chemistry_workshop
  ai_in_chemistry_workshop
  ☆77Updated 11 months ago
• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆148Updated 8 months ago
• coleygroup / ML4MolEng
  Materials for the course Machine Learning for Molecular Engineering (3/7/10/20.C01/C51)
  ☆23Updated 3 months ago
• learningmatter-mit / uvvisml
  Predict optical properties of molecules with machine learning.
  ☆32Updated 3 weeks ago
• CrystalEye42 / OpenChemIE
  ☆78Updated last year
• JanoschMenke / metis
  Python-based GUI to collect Feedback of Chemist in Molecules
  ☆52Updated 10 months ago
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆75Updated last year
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆78Updated last month
• PaccMann / chemical_representation_learning_for_toxicity_prediction
  Chemical representation learning paper in Digital Discovery
  ☆61Updated last year
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆72Updated 5 months ago
• MehmetAzizYirik / MAYGEN
  MAYGEN is an open source chemical structure generator based on the orderly graph generation method.
  ☆52Updated 3 months ago
• thatchemistryguy / PyParse
  Automated analysis of LCMS data for high throughput chemistry experiments
  ☆21Updated this week
• doyle-lab-ucla / auto-qchem
  Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.
  ☆105Updated 3 weeks ago
• chython / chython
  Library for processing molecules and reactions in python way
  ☆44Updated this week
• open-reaction-database / ord-schema
  Schema for the Open Reaction Database
  ☆105Updated last month
• aspuru-guzik-group / Tartarus
  A Benchmarking Platform for Realistic And Practical Inverse Molecular Design
  ☆77Updated 3 months ago
• NREL / alfabet
  Machine learning predictions of bond dissociation energy
  ☆64Updated 11 months ago
• coleygroup / sparrow
  ☆55Updated last month
• zotko / xyz2graph
  Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.
  ☆86Updated last week
• bayer-science-for-a-better-life / Img2Mol
  ☆119Updated 2 years ago
• czodrowskilab / x-fp
  ☆16Updated last year
• BTheDragonMaster / pikachu
  Python-based Informatics Kit for Analysing Chemical Units
  ☆72Updated last year
• Steinbeck-Lab / cheminformatics-microservice
  This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.
  ☆50Updated last week
• usnistgov / chemnlp
  ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data
  ☆75Updated 2 months ago
• JacksonBurns / chemeleon
  CheMeleon Descriptor-based Foundation Model
  ☆82Updated last week
• aspuru-guzik-group / JANUS
  Code for the paper "JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design"
  ☆84Updated 3 years ago
• MolecularAI / maize
  A graph-based workflow manager for computational chemistry pipelines
  ☆63Updated 5 months ago
• schwallergroup / saturn
  Sample-efficient Generative Molecular Design using Memory Manipulation
  ☆60Updated 2 months ago