PV-Lab / FTCP

Related projects ⓘ

Alternatives and complementary repositories for FTCP

• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆41Updated 2 years ago
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆57Updated 3 months ago
• michaeldalverson / CrysTens
  ☆22Updated 3 months ago
• jiaor17 / DiffCSP-PP
  [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
  ☆32Updated 2 months ago
• lrcfmd / ipcsp
  Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings
  ☆42Updated last year
• xiaohang007 / SLICES
  SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT
  ☆76Updated this week
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆46Updated 6 months ago
• sparks-baird / matbench-genmetrics
  Generative materials benchmarking metrics, inspired by guacamol and CDVAE.
  ☆34Updated 5 months ago
• Tinystormjojo / geo-CGNN
  ☆31Updated 4 months ago
• OUnke / SpookyNet
  Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
  ☆66Updated 2 years ago
• gomes-lab / Mat2Spec
  ☆28Updated 2 years ago
• trachote / dp-cdvae
  Diffusion Probabilistic CDVAE
  ☆22Updated 11 months ago
• usnistgov / jarvis_leaderboard
  A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w
  ☆61Updated this week
• lantunes / CrystaLLM
  A Large Language Model of the CIF format for Crystal Structure Generation
  ☆55Updated last month
• MilesZhao / PGCGM
  Source code for generating materials with 20 space groups using PGCGM
  ☆31Updated last year
• RishikeshMagar / OGCNN
  Crystal graph convolutional neural networks for predicting material properties.
  ☆31Updated 2 years ago
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆51Updated 2 years ago
• tobacco-mofs / tobacco_3.0
  ☆48Updated 3 years ago
• cyye001 / Con-CDVAE
  ☆18Updated last week
• CompRhys / roost
  Representation Learning from Stoichiometry
  ☆53Updated last year
• bytedance / bamboo
  BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…
  ☆30Updated 4 months ago
• mir-group / pair_allegro
  LAMMPS pair style for Allegro deep learning interatomic potentials with parallelization support
  ☆35Updated last month
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆11Updated last month
• zhantaochen / phonondos_e3nn
  Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"
  ☆27Updated 2 years ago
• jiaor17 / DiffCSP
  [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
  ☆82Updated 4 months ago
• snurr-group / mofid
  A system for rapid identification and analysis of metal-organic frameworks
  ☆47Updated 2 months ago
• txie-93 / gdynet
  Unsupervised learning of atomic scale dynamics from molecular dynamics.
  ☆78Updated 2 years ago
• by256 / icsg3d
  3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
  ☆37Updated last year
• ACEsuit / mace-mp
  MACE-MP models
  ☆47Updated last week
• BingqingCheng / cace
  ☆48Updated last month