Alternatives and similar repositories for atomgpt:

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

• deepmaterials / slmat
  SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27
  ☆19Updated last month
• usnistgov / jarvis_leaderboard
  A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w
  ☆63Updated last month
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆45Updated last month
• michaeldalverson / CrysTens
  ☆23Updated 6 months ago
• xiaohang007 / SLICES
  SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS
  ☆95Updated this week
• usnistgov / atomvision
  Deep learning framework for atomistic image data
  ☆32Updated last month
• bytedance / bamboo
  BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…
  ☆51Updated last month
• PV-Lab / FTCP
  FTCP code
  ☆33Updated last year
• materialsvirtuallab / matcalc
  A python library for calculating materials properties from the PES
  ☆69Updated this week
• WMD-group / ElementEmbeddings
  Python package to interact with high-dimensional representations of the chemical elements
  ☆40Updated this week
• usnistgov / intermat
  Interface materials design toolkit
  ☆16Updated 3 months ago
• sbanik2 / CEGANN
  Crystal Edge Graph Attention Neural Network
  ☆19Updated 8 months ago
• lantunes / CrystaLLM
  A Large Language Model of the CIF format for Crystal Structure Generation
  ☆94Updated last month
• ACEsuit / mace-mp
  MACE-MP models
  ☆74Updated last month
• JaGeo / LobsterPy
  Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…
  ☆84Updated this week
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆70Updated this week
• ulissigroup / vasp-interactive
  ☆66Updated last year
• lalaheihaihei / catalyticLAM
  Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model
  ☆31Updated last month
• tobacco-mofs / tobacco_3.0
  ☆51Updated 3 years ago
• CederGroupHub / s4
  Solid-state synthesis science analyzer. Thermo, features, ML, and more.
  ☆24Updated 2 years ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆76Updated 2 months ago
• Yangxinsix / curator
  A flexible workflow for on-the-fly learning of interatomic potential models.
  ☆26Updated 10 months ago
• kdmsit / crysxpp
  CrysXPP: An Explainable Property Predictor for Crystalline Materials (NPJ Computational Materials - 2022)
  ☆16Updated last year
• MilesZhao / CubicGAN
  This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.
  ☆10Updated 2 years ago
• JARVIS-Materials-Design / jarvis-tools-notebooks
  A Google-Colab Notebook Collection for Materials Design: https://jarvis.nist.gov/
  ☆76Updated last month
• aronwalsh / MLforMaterials
  Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)
  ☆74Updated 2 weeks ago
• MDIL-SNU / SevenNet
  SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.
  ☆151Updated last month
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆26Updated 3 months ago
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆40Updated 2 months ago
• ulissigroup / wherewulff
  WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions
  ☆32Updated 10 months ago