usnistgov / atomgpt
AtomGPT & DiffractGPT : Generative Pretrained Transformer Models for Forward and Inverse Materials Design https://www.youtube.com/@dr_k_choudhary
☆54Updated 2 weeks ago
Alternatives and similar repositories for atomgpt:
Users that are interested in atomgpt are comparing it to the libraries listed below
- A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w☆68Updated last month
- Interface materials design toolkit☆19Updated last week
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆20Updated 3 months ago
- Deep learning framework for atomistic image data☆35Updated 3 months ago
- ☆24Updated 8 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆99Updated 3 months ago
- A Google-Colab Notebook Collection for Materials Design: https://jarvis.nist.gov/☆80Updated 3 months ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆49Updated 3 weeks ago
- MACE foundation models (MP, OMAT, Matpes)☆97Updated 3 weeks ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆102Updated 3 weeks ago
- FTCP code☆33Updated last year
- Crystal Edge Graph Attention Neural Network☆19Updated 10 months ago
- CrysXPP: An Explainable Property Predictor for Crystalline Materials (NPJ Computational Materials - 2022)☆17Updated last year
- Code for automated fitting of machine learned interatomic potentials.☆76Updated last week
- ☆67Updated last year
- ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data☆75Updated 8 months ago
- ☆53Updated 4 years ago
- Automatic generation of crystal structure descriptions.☆113Updated this week
- Statistical Mechanics on Lattices☆78Updated 3 weeks ago
- Be a master builder of databases of material properties. Avoid the Kragle.☆59Updated last week
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆75Updated 3 months ago
- Python package to interact with high-dimensional representations of the chemical elements☆41Updated this week
- A Python library and command line interface for automated free energy calculations☆75Updated this week
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- DeePMD-kit plugin for various graph neural network models☆41Updated last week
- LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials☆40Updated this week
- ☆27Updated 5 months ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆56Updated 3 weeks ago
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆86Updated 2 weeks ago
- Active Learning for Machine Learning Potentials☆54Updated 11 months ago