Alternatives and similar repositories for rum

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

• BenGutteridge / DRew
  ☆31Updated last year
• vict0rsch / faenet
  ☆34Updated 4 months ago
• MinkaiXu / EGNO
  ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics
  ☆56Updated last year
• Chen-Cai-OSU / MPNN-GT-Connection
  ☆20Updated 2 years ago
• mirunacrt / synflownet
  A GFlowNet with a chemical synthesis action space.
  ☆63Updated 4 months ago
• BaratiLab / GAMD
  Data and code for graph neural network accelerated molecular dynamics
  ☆41Updated 3 years ago
• azminewasi / Awesome-Graph-Research-ICLR2025
  It is a comprehensive resource hub compiling all graph papers accepted at the International Conference on Learning Representations (ICLR)…
  ☆40Updated 4 months ago
• hanjq17 / EGHN
  [NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".
  ☆30Updated last year
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆90Updated 2 years ago
• SXKDZ / MARCEL
  [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles
  ☆42Updated 2 years ago
• SeulLee05 / MOOD
  Official code repository for the paper Exploring Chemical Space with Score-based Out-of-distribution Generation (ICML 2023)
  ☆37Updated last year
• LarsHoldijk / SOCTransitionPaths
  ☆30Updated 2 years ago
• chao1224 / MoleculeSDE
  A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
  ☆32Updated last year
• WillHua127 / mudiff
  ☆16Updated 2 years ago
• azminewasi / Awesome-MoML-ICLR25
  ALL Molecular ML papers from ICLR'25.
  ☆39Updated 3 months ago
• vgsatorras / en_flows
  ☆60Updated 3 years ago
• plainerman / Variational-Doob
  Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
  ☆49Updated 3 months ago
• Ahmed-A-A-Elhag / GAD
  ☆9Updated 3 years ago
• shamim-hussain / tgt
  Triplet Graph Transformer
  ☆44Updated last year
• AzureLeon1 / awesome-molecular-diffusion-models
  A curated list of papers related to molecular diffusion models.
  ☆39Updated 2 weeks ago
• AlexDuvalinho / geometric-gnns
  List of Geometric GNNs for 3D atomic systems
  ☆110Updated last year
• GLAD-RUC / FastEGNN
  Source code of "Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning"
  ☆25Updated last month
• Aalto-QuML / TopNets
  Topological Neural Networks go Persistent, Equivariant and Continuous
  ☆13Updated last year
• nataliemaus / lolbo
  ☆29Updated 2 years ago
• kyonofx / mlcgmd
  [TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks
  ☆72Updated last year
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆45Updated last year
• ml-jku / vnegnn
  ☆31Updated last month
• graphcore / ogb-lsc-pcqm4mv2
  The OGB-LSC is the Large Scale Competition by Open Graph Benchmark to help accelerate research into machine learning on graph structured …
  ☆77Updated 11 months ago
• O-GNN / O-GNN
  ☆13Updated 2 years ago
• AlgoMole / MolFM
  Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
  ☆36Updated last year