Alternatives and similar repositories for ALIGNNTL

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

• jiaor17 / DiffCSP-PP
  [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
  ☆44Updated last month
• michaeldalverson / CrysTens
  ☆26Updated 11 months ago
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆24Updated 9 months ago
• jiaor17 / DiffCSP
  [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
  ☆122Updated 3 months ago
• EmperorJia / EquiCSP
  Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)
  ☆23Updated 11 months ago
• lantunes / CrystaLLM
  A Large Language Model of the CIF format for Crystal Structure Generation
  ☆114Updated 6 months ago
• sadmanomee / ParetoCSP
  Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm
  ☆15Updated 3 months ago
• PV-Lab / FTCP
  FTCP code
  ☆35Updated last year
• xiaohang007 / SLICES
  SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS
  ☆114Updated 4 months ago
• dhw059 / DenseGNN
  DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules
  ☆22Updated 7 months ago
• usccolumbia / AlphaCrystal
  AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction
  ☆10Updated last year
• usnistgov / alignn
  This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/al…
  ☆274Updated last month
• aimat-lab / graph_attention_student
  Minimal implementation of graph attention student model architecture
  ☆11Updated 2 months ago
• cyye001 / Con-CDVAE
  This is a conditionally generative model for crystal structures based on a modified version of CDVAE.
  ☆33Updated 3 weeks ago
• trachote / dp-cdvae
  Diffusion Probabilistic CDVAE
  ☆24Updated last year
• WanyuGroup / AI-for-Crystal-Materials
  AI for crystal materials
  ☆73Updated 3 weeks ago
• MDIL-SNU / SevenNet
  SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.
  ☆188Updated last week
• hspark1212 / MOFTransformer
  Universal Transfer Learning in Porous Materials, including MOFs.
  ☆106Updated last year
• usccolumbia / deeperGATGNN
  Scalable graph neural networks for materials property prediction
  ☆62Updated last year
• Eipgen / Neural-Network-Models-for-Chemistry
  A collection of Nerual Network Models for chemistry
  ☆152Updated 3 weeks ago
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• ruihwang / MOF-CGCNN
  We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …
  ☆19Updated 3 years ago
• lzhelin / CrystalDiffusion
  ☆10Updated 6 months ago
• by256 / icsg3d
  3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
  ☆41Updated 2 years ago
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆62Updated 2 months ago
• snurr-group / mofid
  A system for rapid identification and analysis of metal-organic frameworks
  ☆58Updated 8 months ago
• BingqingCheng / cace
  ☆88Updated last week
• DeepSorption / DeepSorption1.0
  ☆14Updated last year
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆69Updated 2 months ago
• zcao0420 / MOFormer
  Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction
  ☆53Updated last year