Alternatives and similar repositories for obsidian

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

• doyle-lab-ucla / edboplus
  EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.
  ☆83Updated 2 months ago
• AustinT / mol_ga
  Simple, lightweight package for genetic algorithms on molecules
  ☆58Updated last year
• JacksonBurns / mordred-community
  Community-Maintained Version of mordred
  ☆89Updated last week
• JacksonBurns / fastprop
  Fast Molecular Property Prediction with mordredcommunity
  ☆55Updated last month
• openochem / openochem
  ☆19Updated 3 months ago
• jenna-fromer / qPO
  ☆14Updated 10 months ago
• molecularinformatics / Computational-ADME
  ☆97Updated last year
• mrodobbe / Rxn-INSIGHT
  Analyzing chemical databases and predicting reaction conditions with cheminformatics
  ☆42Updated 3 months ago
• O-Schilter / Clipboard-to-SMILES-Converter
  Converts clipboard content to smiles and much more
  ☆64Updated last year
• basf / MolPipeline
  A Python package for processing molecules with RDKit in scikit-learn
  ☆208Updated 2 weeks ago
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆72Updated 5 months ago
• JacksonBurns / astartes
  Better Data Splits for Machine Learning
  ☆89Updated last month
• doyle-lab-ucla / auto-qchem
  Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.
  ☆112Updated 2 months ago
• JacksonBurns / py2opsin
  Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature
  ☆69Updated 10 months ago
• osmoai / osmordred
  Mordred port in cpp
  ☆50Updated 8 months ago
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆76Updated 3 weeks ago
• sustainable-processes / summit
  Optimising chemical reactions using machine learning
  ☆134Updated last year
• Novartis / UNIQUE
  A Python library for benchmarking uncertainty estimation and quantification methods for Machine Learning models predictions.
  ☆39Updated last year
• Exscientia / molflux
  A foundational package for molecular predictive modelling
  ☆94Updated last year
• b-shields / edbo
  Experimental Design via Bayesian Optimization
  ☆160Updated 3 years ago
• coleygroup / polymer-chemprop
  Message Passing Neural Networks for Molecule Property Prediction
  ☆47Updated 3 years ago
• aspuru-guzik-group / atlas
  A brain for self-driving laboratories
  ☆44Updated 6 months ago
• NREL / m2p
  ☆35Updated 4 months ago
• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆149Updated 11 months ago
• schwallergroup / minerva
  ☆18Updated 6 months ago
• NREL / alfabet
  Machine learning predictions of bond dissociation energy
  ☆64Updated last year
• aspuru-guzik-group / olympus
  Olympus: a benchmarking framework for noisy optimization and experiment planning
  ☆90Updated 11 months ago
• volkamerlab / ai_in_chemistry_workshop
  ai_in_chemistry_workshop
  ☆78Updated last year
• aspuru-guzik-group / gryffin
  ☆57Updated 2 years ago
• EliLillyCo / LillyMol
  LillyMol Public Code
  ☆120Updated 2 months ago