Alternatives and similar repositories for nextorch

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

• aspuru-guzik-group / gryffin
  ☆58Updated 2 years ago
• b-shields / auto-QChem
  Quantum mechanical descriptor generation
  ☆55Updated 4 years ago
• lamalab-org / pyepal
  Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.
  ☆41Updated 6 months ago
• sustainable-processes / summit
  Optimising chemical reactions using machine learning
  ☆132Updated last year
• aspuru-guzik-group / olympus
  Olympus: a benchmarking framework for noisy optimization and experiment planning
  ☆87Updated 10 months ago
• schwallergroup / chaos
  ☆18Updated last year
• b-shields / edbo
  Experimental Design via Bayesian Optimization
  ☆155Updated 3 years ago
• aspuru-guzik-group / atlas
  A brain for self-driving laboratories
  ☆43Updated 4 months ago
• materials-data-facility / awesome-bayesian-optimization
  ☆42Updated last year
• JacksonBurns / astartes
  Better Data Splits for Machine Learning
  ☆88Updated last week
• zavalab / ML
  ☆92Updated 2 months ago
• sgbaird / honegumi
  Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.
  ☆60Updated 2 months ago
• NREL / m2p
  ☆34Updated 2 months ago
• ImperialCollegeLondon / webBO
  ☆11Updated 2 weeks ago
• SimonEnsemble / multi-fidelity-BO-of-COFs-for-Xe-Kr-seps
  ☆13Updated 2 years ago
• NREL / rlmolecule
  A reinforcement learning library for material and molecule optimization
  ☆31Updated last year
• b-shields / EvML
  Benchmarking human and machine learning performance.
  ☆34Updated 5 years ago
• aspuru-guzik-group / gpHSP
  Code to build a probabilistic predictive model for HSP
  ☆37Updated 3 years ago
• novonordisk-research / ProcessOptimizer
  A tool to optimize real world problems
  ☆107Updated last week
• PV-Lab / Benchmarking
  Benchmarking
  ☆31Updated 3 years ago
• coleygroup / polymer-chemprop
  Message Passing Neural Networks for Molecule Property Prediction
  ☆47Updated 2 years ago
• aspuru-guzik-group / phoenics
  Phoenics: Bayesian optimization for efficient experiment planning
  ☆93Updated 6 years ago
• PV-Lab / ZoMBI
  Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…
  ☆17Updated last year
• doyle-lab-ucla / edboplus
  EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.
  ☆80Updated 2 weeks ago
• learningmatter-mit / Atomistic-Adversarial-Attacks
  Code for performing adversarial attacks on atomistic systems using NN potentials
  ☆40Updated 3 years ago
• olsenlabmit / BCDB
  The Block Copolymer Phase Behavior Database (BCDB)
  ☆19Updated last year
• IBM / polymer_property_prediction
  A Python library for prediction of polymeric material properties.
  ☆19Updated 3 years ago
• qcscine / chemoton
  ☆51Updated last year
• argonne-lcf / molan
  Data analytics for molecular solids melting points
  ☆31Updated 2 years ago
• olsenlabmit / BigSMILES
  An open-source effort towards accessible polymer data
  ☆39Updated 4 years ago