Alternatives and similar repositories for AI_for_Science_paper_collection

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

• deepmodeling / AI4Science101
  AI for Science
  ☆99Updated last year
• microsoft / LLM4ScientificDiscovery
  Call for participation in the impact of LLM for scientific discovery
  ☆77Updated last year
• ai4sci-research / ai4sci-research.github.io
  ☆17Updated last year
• RobDHess / Steerable-E3-GNN
  E(3) Steerable Graph Neural Network
  ☆126Updated 2 years ago
• facebookresearch / crystal-text-llm
  Large language models to generate stable crystals.
  ☆116Updated last year
• yuanqidu / M2Hub
  ☆48Updated last year
• facebookresearch / all-atom-diffusion-transformer
  Official implementation of All Atom Diffusion Transformers (ICML 2025)
  ☆287Updated 4 months ago
• atomicarchitects / equiformer
  [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
  ☆268Updated 11 months ago
• divelab / AIRS
  Artificial Intelligence Research for Science (AIRS)
  ☆723Updated 2 months ago
• vgsatorras / en_flows
  ☆59Updated 3 years ago
• AlexDuvalinho / geometric-gnns
  List of Geometric GNNs for 3D atomic systems
  ☆119Updated last year
• yuanqidu / LeftNet
  ☆60Updated last year
• GLAD-RUC / GGNN4Science
  ☆138Updated 7 months ago
• kdmsit / Awesome-Crystal-GNNs
  This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials
  ☆111Updated 2 months ago
• sissa-data-science / DADApy
  Distance-based Analysis of DAta-manifolds in python
  ☆139Updated this week
• facebookresearch / flowmm
  Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…
  ☆173Updated last year
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆131Updated last year
• noegroup / bgflow
  Boltzmann Generators and Normalizing Flows in PyTorch
  ☆186Updated last year
• GenSI-THUAIR / MolFM
  Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
  ☆41Updated last year
• ccr-cheng / InfGCN-pytorch
  Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.
  ☆16Updated 2 years ago
• MinkaiXu / EGNO
  ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics
  ☆60Updated last year
• ChemFoundationModels / ChemLLMBench
  Official Code for What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks (In NeurIPS 2023)
  ☆168Updated last year
• plainerman / Variational-Doob
  Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
  ☆54Updated 9 months ago
• GLAD-RUC / HEGNN
  Official implementation of HEGNN, a novel high-degree equivariant graph neural network proposed in the NeurIPS 2024 paper 'Are High-Degre…
  ☆31Updated last year
• divelab / MFA
  Official code repository of paper Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency.
  ☆19Updated last year
• learningmatter-mit / geom
  GEOM: Energy-annotated molecular conformations
  ☆236Updated 3 years ago
• microsoft / two-for-one-diffusion
  This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…
  ☆66Updated last year
• leojklarner / gauche
  A Library for Gaussian Processes in Chemistry
  ☆247Updated last year
• lamalab-org / MatText
  Text-based modeling of materials.
  ☆34Updated last year
• senya-ashukha / simple-equivariant-gnn
  A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks
  ☆139Updated 4 years ago