Alternatives and similar repositories for summit:

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

• b-shields / edbo
  Experimental Design via Bayesian Optimization
  ☆130Updated 2 years ago
• aspuru-guzik-group / olympus
  Olympus: a benchmarking framework for noisy optimization and experiment planning
  ☆85Updated 4 months ago
• b-shields / auto-QChem
  Quantum mechanical descriptor generation
  ☆53Updated 4 years ago
• doyle-lab-ucla / auto-qchem
  Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.
  ☆93Updated 5 months ago
• doyle-lab-ucla / edboplus
  EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.
  ☆68Updated last month
• aspuru-guzik-group / gryffin
  ☆56Updated 2 years ago
• open-reaction-database / ord-schema
  Schema for the Open Reaction Database
  ☆97Updated 2 weeks ago
• helgestein / helao-pub
  hierachical automation of the natural sciences
  ☆20Updated last month
• aspuru-guzik-group / gpHSP
  Code to build a probabilistic predictive model for HSP
  ☆36Updated 3 years ago
• digital-chemistry-laboratory / morfeus
  A Python package for calculating molecular features
  ☆169Updated 2 months ago
• lvpp / sigma
  LVPP sigma-profile database + COSMO-SAC parametrizations
  ☆60Updated last month
• HaasCP / mocca
  Deprecated open-source Python project to analyze HPLC–DAD raw data.
  ☆41Updated 6 months ago
• hjkgrp / molSimplify
  molSimplify code
  ☆183Updated this week
• NREL / m2p
  ☆28Updated 7 months ago
• simonmb / fragmentation_algorithm
  Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)
  ☆21Updated 3 weeks ago
• AustinT / mol_ga
  Simple, lightweight package for genetic algorithms on molecules
  ☆52Updated 4 months ago
• RUIMINMA1996 / PI1M
  A benchmark dataset for polymer informatics.
  ☆59Updated 3 years ago
• PEESEgroup / Pure-Component-Property-Estimation
  ☆27Updated 2 years ago
• simonmb / fragmentation_algorithm_paper
  Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)
  ☆34Updated 3 years ago
• patonlab / CASCADE
  CAlculation of NMR Chemical Shifts using Deep LEarning
  ☆58Updated last year
• IUPAC / Dissociation-Constants
  This repository includes pKa data digitized and curated from reference books published by IUPAC.
  ☆46Updated this week
• qcscine / chemoton
  ☆46Updated 6 months ago
• NREL / nfp
  Keras layers for end-to-end learning with rdkit and pymatgen
  ☆59Updated last year
• lamalab-org / pyepal
  Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.
  ☆40Updated this week
• materials-data-facility / awesome-bayesian-optimization
  ☆39Updated 11 months ago
• NREL / alfabet
  Machine learning predictions of bond dissociation energy
  ☆57Updated 6 months ago
• curieshicy / JRgui
  Python GUI program for a quick estimation of physicochemical properties of molecules.
  ☆42Updated 6 years ago
• sparks-baird / self-driving-lab-demo
  Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-c…
  ☆75Updated 3 weeks ago
• aspuru-guzik-group / phoenics
  Phoenics: Bayesian optimization for efficient experiment planning
  ☆91Updated 5 years ago
• JacksonBurns / astartes
  Better Data Splits for Machine Learning
  ☆77Updated last month