Alternatives and similar repositories for AI4Science101

Users that are interested in AI4Science101 are comparing it to the libraries listed below

• MinkaiXu / EGNO
  ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics
  ☆56Updated last year
• microsoft / LLM4ScientificDiscovery
  Call for participation in the impact of LLM for scientific discovery
  ☆71Updated last year
• GLAD-RUC / GGNN4Science
  ☆126Updated 3 months ago
• ai4sci-research / ai4sci-research.github.io
  ☆17Updated last year
• hanjq17 / GMN
  [ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".
  ☆60Updated 11 months ago
• gracezhao1997 / EEGSDE
  This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)
  ☆47Updated last year
• yataobian / awesome-DrugAI
  Research repo for AI aided drug discovery, de novo drug development and related topics
  ☆36Updated 3 years ago
• chao1224 / MoleculeSDE
  A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
  ☆31Updated last year
• sail-sg / d4ft
  A JAX library for Density Functional Theory.
  ☆53Updated this week
• vertaix / LLM-Prop
  A repository for the LLM-Prop implementation
  ☆36Updated last year
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 3 years ago
• facebookresearch / crystal-text-llm
  Large language models to generate stable crystals.
  ☆103Updated 11 months ago
• AI4QC / AI_for_Science_paper_collection
  List the AI for Science papers accepted by top conferences
  ☆113Updated 8 months ago
• SXKDZ / MARCEL
  [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles
  ☆42Updated last year
• facebookresearch / JMP
  Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
  ☆56Updated 7 months ago
• vict0rsch / faenet
  ☆34Updated 3 months ago
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆119Updated last year
• atomicarchitects / DeNS
  [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
  ☆35Updated 3 months ago
• yuanqidu / M2Hub
  ☆46Updated 5 months ago
• dptech-corp / Uni-Core
  an efficient distributed PyTorch framework
  ☆137Updated 3 weeks ago
• AlexDuvalinho / geometric-gnns
  List of Geometric GNNs for 3D atomic systems
  ☆106Updated last year
• ChemFoundationModels / ChemLLMBench
  What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks
  ☆151Updated 10 months ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆91Updated 2 years ago
• DeepGraphLearning / ConfGF
  Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).
  ☆166Updated 3 years ago
• Zun-Wang / QuinNet
  (NeurIPS 2023) QuinNet: Efficiently Incorporating Quintuple Interactions into Geometric Deep Learning Force Fields
  ☆10Updated 10 months ago
• yuanqidu / LeftNet
  ☆56Updated 5 months ago
• lsj2408 / Gaunt-Tensor-Product
  [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…
  ☆61Updated 7 months ago
• AzureLeon1 / awesome-molecular-diffusion-models
  A curated list of papers related to molecular diffusion models.
  ☆36Updated 2 weeks ago
• YKQ98 / Matformer
  Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)
  ☆96Updated last year
• atomicarchitects / equiformer
  [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
  ☆239Updated 3 months ago