Alternatives and similar repositories for honegumi

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

• sparks-baird / mat_discover
  A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
  ☆44Updated 9 months ago
• jenna-fromer / qPO
  ☆14Updated 4 months ago
• fenning-research-group / PASCAL
  Codebase to drive the Perovskite Automated Spin Coat Assembly Line (PASCAL) in the Fenning research group.
  ☆15Updated 2 months ago
• eltonpan / zeosyn_dataset
  ZeoSyn: A Comprehensive Zeolite Synthesis Dataset Enabling Machine-learning Rationalization of Hydrothermal Parameters (ACS Central Scien…
  ☆26Updated 7 months ago
• helgestein / helao-pub
  hierachical automation of the natural sciences
  ☆20Updated 3 months ago
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆56Updated this week
• jla-gardner / graph-pes
  train and use graph-based ML models of potential energy surfaces
  ☆91Updated this week
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆38Updated last year
• sparks-baird / xtal2png
  Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.
  ☆37Updated last year
• materials-data-facility / awesome-bayesian-optimization
  ☆40Updated last year
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆55Updated last year
• Fung-Lab / MatterTune
  A unified platform for fine-tuning atomistic foundation models in chemistry and materials science
  ☆40Updated 2 weeks ago
• AccelerationConsortium / ac-microcourses
  Microcourses hosted by the Acceleration Consortium for self-driving lab topics.
  ☆30Updated last week
• basf / mlipx
  Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…
  ☆82Updated this week
• lanl / Architector
  The architector python package - for 3D metal complex design. C22085
  ☆54Updated last week
• PV-Lab / Benchmarking
  Benchmarking
  ☆29Updated 3 years ago
• PV-Lab / FTCP
  FTCP code
  ☆34Updated last year
• zhenpengyao / Supramolecular_VAE
  ☆32Updated 4 years ago
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆46Updated 8 months ago
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆68Updated last week
• schwallergroup / chaos
  ☆18Updated 10 months ago
• aspuru-guzik-group / gryffin
  ☆57Updated 2 years ago
• AC-BO-Hackathon / ac-bo-hackathon.github.io
  ☆10Updated last week
• malcolmsimgithub / ChemOS2.0
  ☆18Updated last year
• SimonEnsemble / porous-material-AI-gym
  open data sets for machine learning pertaining to porous materials
  ☆27Updated last year
• nigalanakis / Crystal_Math
  Algorithms to analyze and predict molecular structures
  ☆18Updated 9 months ago
• basf / autoadsorbate
  Chemical intuition for surface science in a package.
  ☆35Updated 2 weeks ago
• ACEsuit / mace-off
  MACE-OFF23 models
  ☆34Updated 4 months ago
• duartegroup / mlp-train
  MLP training for molecular systems
  ☆47Updated last week
• CederGroupHub / alabos
  AlabOS: Managing the workflows in the Autonomous lab
  ☆44Updated last week