Alternatives and similar repositories for multibax-sklearn

Users that are interested in multibax-sklearn 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
• AccelerationConsortium / ac-microcourses
  Microcourses hosted by the Acceleration Consortium for self-driving lab topics.
  ☆31Updated 2 weeks ago
• CompRhys / aviary
  The Wren sits on its Roost in the Aviary.
  ☆60Updated 2 months ago
• ML-Materials-Standards / ml-materials-checklist
  ☆34Updated 11 months 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
• BlauGroup / HiPRGen
  ☆26Updated 11 months ago
• materials-data-facility / llm-resources
  ☆20Updated last year
• fenning-research-group / PASCAL
  Codebase to drive the Perovskite Automated Spin Coat Assembly Line (PASCAL) in the Fenning research group.
  ☆18Updated 3 weeks ago
• sgbaird / honegumi
  Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.
  ☆60Updated 2 months ago
• fsk-lab / botier
  Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs
  ☆12Updated 3 weeks ago
• SergeiVKalinin / MSE_Spring2024
  The materials for the Spring Mathematics in Materials course at the UTK MSE
  ☆49Updated last year
• SergeiVKalinin / MSE_Fall2023
  The materials for the Fall ML in Materials course at the UTK MSE
  ☆87Updated last year
• a-ws-m / unlockNN
  A Python package for adding uncertainties to neural network models of chemical systems.
  ☆26Updated 3 years 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 last week
• wengroup / matten
  MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials
  ☆40Updated last week
• jan-janssen / LangSim
  Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim
  ☆68Updated 2 months ago
• FERMat-ML / OMatG
  State-of-the-art generative model for crystal structure prediction and de novo generation of inorganic crystals.
  ☆32Updated 2 months ago
• jla-gardner / augment-atoms
  dataset augmentation for atomistic machine learning
  ☆20Updated 3 months ago
• lrcfmd / ElMD
  The Element Movers Distance for chemical composition similarity
  ☆35Updated 6 months ago
• killiansheriff / AtomisticReverseMonteCarlo
  OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.
  ☆26Updated 8 months ago
• zhenpengyao / Supramolecular_VAE
  ☆33Updated 3 weeks ago
• mattmcdermott / novel-materials-screening
  Screening the Materials Project for novel materials to be synthesized by the autonomous laboratory (A-Lab).
  ☆46Updated 2 years ago
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated last year
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆40Updated last year
• FrederikLizakJohansen / DebyeCalculator
  A vectorised implementation of the Debye Scattering Equation on CPU and GPU
  ☆34Updated 9 months ago
• materialsproject / pyrho
  ☆40Updated last week
• lamalab-org / mofdscribe
  An ecosystem for digital reticular chemistry
  ☆50Updated last year
• usnistgov / atomvision
  Deep learning framework for atomistic image data
  ☆34Updated last month
• kaueltzen / LLM_Hackathon_2024
  This repo contains code and data of our contribution to the 2024 LLM Hackathon, materials' property prediction from textual descriptions …
  ☆12Updated last year
• dd-debug / synthesis_planning_algorithm
  A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.
  ☆18Updated last year