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
  ☆17Updated 2 weeks ago
• usnistgov / intermat
  Interface materials design toolkit
  ☆15Updated 2 months ago
• usnistgov / jarvis_leaderboard
  A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w
  ☆63Updated 2 weeks ago
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆39Updated last month
• JaGeo / LobsterPy
  Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…
  ☆83Updated 2 weeks ago
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆43Updated last week
• michaeldalverson / CrysTens
  ☆22Updated 5 months ago
• xiaohang007 / SLICES
  SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT
  ☆86Updated 3 weeks ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆74Updated last month
• JARVIS-Materials-Design / jarvis-tools-notebooks
  A Google-Colab Notebook Collection for Materials Design: https://jarvis.nist.gov/
  ☆74Updated last week
• CederGroupHub / s4
  Solid-state synthesis science analyzer. Thermo, features, ML, and more.
  ☆24Updated 2 years ago
• kdmsit / crysxpp
  CrysXPP: An Explainable Property Predictor for Crystalline Materials (NPJ Computational Materials - 2022)
  ☆16Updated last year
• usnistgov / atomvision
  Deep learning framework for atomistic image data
  ☆30Updated last week
• snurr-group / pacmof
  PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …
  ☆16Updated 11 months ago
• sbanik2 / CEGANN
  Crystal Edge Graph Attention Neural Network
  ☆19Updated 7 months ago
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆64Updated this week
• ulissigroup / vasp-interactive
  ☆64Updated last year
• WMD-group / ElementEmbeddings
  Python package to interact with high-dimensional representations of the chemical elements
  ☆39Updated this week
• usnistgov / atomqc
  Atomistic Calculations on Quantum Computers
  ☆14Updated 10 months ago
• emmhald / open_metal_detector
  ☆26Updated 2 years ago
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆25Updated 2 months ago
• atomisticnet / MLP-beginners-guide
  Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)
  ☆28Updated 3 years ago
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆45Updated this week
• richardjgowers / zeoplusplus
  Mirror of http://zeoplusplus.org/
  ☆8Updated 6 years ago
• tobacco-mofs / tobacco_3.0
  ☆50Updated 3 years ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆46Updated 3 years ago
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆68Updated this week
• bytedance / bamboo
  BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…
  ☆47Updated 3 weeks ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆35Updated 2 weeks ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆34Updated last year