Alternatives and similar repositories for HNeR-S:

Users that are interested in HNeR-S are comparing it to the libraries listed below

• seongsukim-ml / GPWNO
  Gaussain plane-wave neural operator (GPWNO) is a novel approach to predict the electron density of molecule, combining two types of the b…
  ☆17Updated 4 months ago
• hsjang0 / LED-GFN
  Learning energy decompositions for partial inference in GFlowNets
  ☆15Updated 7 months ago
• yunhuijang / GEEL
  A Simple and Scalable Representation for Graph Generation (ICLR 2024)
  ☆16Updated 10 months ago
• yunhuijang / HGGT
  ☆12Updated 10 months ago
• lsj2408 / Gaunt-Tensor-Product
  [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…
  ☆57Updated 2 months ago
• BaratiLab / GAMD
  Data and code for graph neural network accelerated molecular dynamics
  ☆39Updated 2 years ago
• liugangcode / Graph-DiT
  The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"
  ☆44Updated this week
• ccr-cheng / InfGCN-pytorch
  Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.
  ☆13Updated last year
• yuanqidu / LeftNet
  ☆55Updated last month
• vict0rsch / faenet
  ☆33Updated last year
• gracezhao1997 / EEGSDE
  This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)
  ☆46Updated last year
• divelab / MFA
  Official code repository of paper Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency.
  ☆15Updated last week
• SeulLee05 / MOOD
  Official code repository for the paper Exploring Chemical Space with Score-based Out-of-distribution Generation (ICML 2023)
  ☆37Updated 8 months ago
• AlgoMole / MolFM
  Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
  ☆31Updated 8 months ago
• facebookresearch / flowmm
  Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…
  ☆105Updated 3 months ago
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆15Updated 3 months ago
• vgsatorras / en_flows
  ☆60Updated 2 years ago
• MinkaiXu / GeoLDM
  Geometric Latent Diffusion Models for 3D Molecule Generation
  ☆225Updated last year
• MinkaiXu / EGNO
  ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics
  ☆51Updated 10 months ago
• LarsHoldijk / SOCTransitionPaths
  ☆26Updated 2 years ago
• parkjunkil / MOFFUSION
  Multi-modal conditioning diffusion model for MOFs generation
  ☆19Updated 3 weeks ago
• Shen-Lab / LDM-3DG
  [ICLR 2024] "Latent 3D Graph Diffusion" by Yuning You, Ruida Zhou, Jiwoong Park, Haotian Xu, Chao Tian, Zhangyang Wang, Yang Shen
  ☆42Updated 7 months ago
• tiwarylab / DDPM_REMD
  Denoising diffusion probabilistic models for replica exchange
  ☆24Updated 2 years ago
• cvignac / MiDi
  MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation
  ☆97Updated 4 months ago
• RobDHess / Steerable-E3-GNN
  E(3) Steerable Graph Neural Network
  ☆112Updated last year
• MinkaiXu / AliDiff
  NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
  ☆22Updated 2 months ago
• plainerman / Variational-Doob
  Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
  ☆44Updated last month
• nataliemaus / lolbo
  ☆27Updated 2 years ago
• AlexDuvalinho / geometric-gnns
  List of Geometric GNNs for 3D atomic systems
  ☆98Updated 11 months ago
• hanjq17 / EGHN
  [NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".
  ☆27Updated last year