Alternatives and similar repositories for combo3

Users that are interested in combo3 are comparing it to the libraries listed below

• tsudalab / PDC
  Efficient phase diagram construction based on uncertainty sampling
  ☆14Updated 3 years ago
• originofmatter / MatGAN
  Generative deep learning model for inorganic materials
  ☆18Updated 2 years ago
• quantumbeam / BBO-Rietveld
  Automated crystal structure analysis based on blackbox optimisation
  ☆32Updated 9 months ago
• tsudalab / MDTS
  Materials Design by Monte Carlo Tree Search
  ☆35Updated 3 years ago
• giprayogo / SHRY
  A tool for generating unique ordered structures corresponding to a given disordered structure.
  ☆17Updated last year
• matlantis / matlantis-contrib
  ☆44Updated this week
• matlantis / atomistic-simulation-tutorial
  Atomistic simulation hands on tutorial on Matlantis
  ☆50Updated this week
• materialsvirtuallab / nano281
  Data Science for Materials Science
  ☆64Updated last week
• 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
• angeloziletti / ai4materials
  Deep learning for crystal-structure recognition and analysis of atomic structures
  ☆43Updated last year
• amirhajibabaei / AutoForce
  Sparse Gaussian Process Potentials
  ☆27Updated 4 months ago
• henniggroup / symbolic-regression-utilities
  ☆11Updated 4 years ago
• lab-cosmo / SA-GPR
  ☆21Updated 6 years ago
• MDIL-SNU / SPINNER
  SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)
  ☆14Updated last year
• ML-Materials-Standards / ml-materials-checklist
  ☆34Updated 9 months ago
• shin1koda / dmf
  A Python implementation of the direct MaxFlux method for transition state search
  ☆31Updated 2 weeks ago
• KanHatakeyama / Integrating-multiple-materials-science-projects
  ☆14Updated 3 years ago
• sirmarcel / cmlkit
  tools for machine learning in condensed matter physics and quantum chemistry
  ☆33Updated 3 years ago
• masayoshi-ogura / HDNNP
  high dimensional neural network potential
  ☆22Updated 2 years ago
• PKUsamPHTeam / ASPH-Code
  data and code to reduplicate paper: Topological representations of crystalline compounds for the machine-learning prediction of materials…
  ☆21Updated 4 years ago
• argonne-lcf / active-learning-md
  Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…
  ☆27Updated 3 years ago
• dilkins / TENSOAP
  Public repository for symmetry-adapted Gaussian Process Regression (SA-GPR)
  ☆20Updated 6 months ago
• pyiron / pyiron_meltingpoint
  A fully automated approach to determine the melting temperature of crystalline materials
  ☆20Updated last year
• issp-center-dev / PHYSBO
  PHYSBO -- optimization tools for PHYsics based on Bayesian Optimization
  ☆77Updated last week
• lab-cosmo / kernel-tutorials
  A set of utilities and pedagogic notebooks for the use of linear and kernel methods in atomistic modeling
  ☆23Updated last year
• janosh / thermo
  Data-driven risk-conscious thermoelectric materials discovery
  ☆16Updated last month
• hendrikheinz / INTERFACE-force-field-and-surface-models
  A force field for the simulation of inorganic-organic interfaces (INTERFACE-CHARMM, INTERFACE-PCFF)
  ☆14Updated last year
• CompRhys / aviary
  The Wren sits on its Roost in the Aviary.
  ☆59Updated this week
• nec-research / alebrew
  Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".
  ☆20Updated 9 months ago
• hackingmaterials / materials-coord
  MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms
  ☆19Updated 2 years ago