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 last year
• lanl / Architector
  The architector python package - for 3D metal complex design. C22085
  ☆67Updated 3 weeks ago
• AccelerationConsortium / ac-microcourses
  Microcourses hosted by the Acceleration Consortium for self-driving lab topics.
  ☆31Updated 3 weeks ago
• jla-gardner / graph-pes
  train and use graph-based ML models of potential energy surfaces
  ☆106Updated 2 weeks ago
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆63Updated 3 months ago
• aspuru-guzik-group / gryffin
  ☆58Updated 2 years ago
• 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
• aspuru-guzik-group / MERMaid
  Multimodal aid for mining of chemical reactions from PDFs
  ☆26Updated 2 months ago
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆31Updated last year
• CederGroupHub / alabos
  AlabOS: Managing the workflows in the Autonomous lab
  ☆44Updated last month
• Quantum-Accelerators / template
  A template for Python packages. Developed by the @quantum-accelerators
  ☆62Updated 2 weeks ago
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆40Updated last year
• helgestein / helao-pub
  hierachical automation of the natural sciences
  ☆22Updated 7 months ago
• jenna-fromer / qPO
  ☆15Updated 8 months ago
• kjappelbaum / ml_molsim
  Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
  ☆28Updated last year
• TRI-AMDD / htp_md
  Shared repo for trajectory analysis and infrastructure development
  ☆22Updated last year
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated last year
• Fung-Lab / MatterTune
  A unified platform for fine-tuning atomistic foundation models in chemistry and materials science
  ☆57Updated 2 weeks ago
• basf / mlipx
  Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…
  ☆94Updated 2 weeks ago
• atomisticnet / MLP-beginners-guide
  Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)
  ☆28Updated 4 years ago
• lamalab-org / mofdscribe
  An ecosystem for digital reticular chemistry
  ☆49Updated last year
• SimonEnsemble / porous-material-AI-gym
  open data sets for machine learning pertaining to porous materials
  ☆27Updated last year
• malcolmsimgithub / ChemOS2.0
  ☆18Updated last year
• Andrew-S-Rosen / xtb_ase
  A fully featured ASE calculator for xTB
  ☆21Updated 11 months ago
• jan-janssen / LangSim
  Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim
  ☆68Updated 2 months ago
• qcscine / chemoton
  ☆51Updated last year
• duartegroup / mlp-train
  MLP training for molecular systems
  ☆54Updated this week
• materials-data-facility / awesome-bayesian-optimization
  ☆41Updated last year
• 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…
  ☆78Updated 2 months ago
• scikit-learn-contrib / scikit-matter
  A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities
  ☆86Updated this week