Alternatives and similar repositories for golem

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

• aspuru-guzik-group / atlas
  A brain for self-driving laboratories
  ☆44Updated 5 months ago
• cgrambow / AutomaticReactionDiscovery
  Using quantum chemical computation to find important reactions without requiring human intuition.
  ☆18Updated 7 years ago
• EPiCs-group / chemspax
  A Python tool for local chemical space exploration of any structure based on their 3D geometry
  ☆13Updated last year
• ImperialCollegeLondon / webBO
  ☆11Updated 2 months ago
• schwallergroup / chaos
  ☆19Updated last year
• Ryan-Rhys / FlowMO
  Library for training Gaussian Processes on Molecules
  ☆36Updated 3 years ago
• ShuHuang / chemdatawriter
  ChemDataWriter is a transformer-based library for automatically generating research books in the chemistry area.
  ☆14Updated 2 years ago
• aspuru-guzik-group / Pasithea
  Deep Molecular Dreaming
  ☆25Updated last year
• lamalab-org / macbench
  Probing the limitations of multimodal language models for chemistry and materials research
  ☆20Updated last month
• learningmatter-mit / Atomistic-Adversarial-Attacks
  Code for performing adversarial attacks on atomistic systems using NN potentials
  ☆40Updated 3 years ago
• aspuru-guzik-group / assessing_mol_prediction_confidence
  https://arxiv.org/abs/2102.11439
  ☆20Updated 4 years ago
• lamalab-org / chembench-paper
  ☆25Updated 9 months ago
• materials-data-facility / awesome-bayesian-optimization
  ☆42Updated last year
• AC-BO-Hackathon / ac-bo-hackathon.github.io
  ☆10Updated 5 months ago
• aspuru-guzik-group / MERMaid
  Multimodal aid for mining of chemical reactions from PDFs
  ☆31Updated 4 months ago
• zhenpengyao / Supramolecular_VAE
  ☆34Updated 2 months ago
• rileyhickman / atlas
  Bayesian optimization for chemistry
  ☆18Updated last year
• neo-chem / awesome-chemical-data
  Curated list of known efforts in collecting and/or curating of chemical/materials data
  ☆22Updated 4 years ago
• olsenlabmit / BigSMILES
  An open-source effort towards accessible polymer data
  ☆39Updated 4 years ago
• lamalab-org / pyepal
  Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.
  ☆41Updated 8 months ago
• IBM / polymer_property_prediction
  A Python library for prediction of polymeric material properties.
  ☆21Updated 3 years ago
• coleygroup / QM-augmented_GNN
  ☆21Updated 2 years ago
• QChASM / Aaron
  AARON (An Automated Reaction Optimizer for New catalysts) automates DFT optimizations of TS structures for asymmetric catalytic reactions…
  ☆16Updated 4 years ago
• ZimmermanGroup / ActiveTransfer
  ☆15Updated 3 years ago
• MolecularAI / reaction-graph-link-prediction
  ☆16Updated last year
• usccolumbia / materialsUQ
  Uncertainty Quantification for Materials Property Prediction: a Benchmark Study
  ☆17Updated last year
• theochem / gopt
  Python library for optimizing molecular structures and determining chemical reaction pathways.
  ☆17Updated last year
• hesther / templatecorr
  Hierarchical template correction for chemical reactions
  ☆17Updated last year
• grimme-lab / MindlessGen
  Mindless molecule generator in a Python package.
  ☆39Updated last week
• ac-rad / digital-pipette
  ☆10Updated last year