recursionpharma / gflownetLinks
GFlowNet library specialized for graph & molecular data
☆262Updated 2 months ago
Alternatives and similar repositories for gflownet
Users that are interested in gflownet are comparing it to the libraries listed below
Sorting:
- A modular, easy to extend GFlowNet library☆283Updated this week
- Generative Flow Networks - GFlowNet☆265Updated 3 weeks ago
- A curated list of resources about generative flow networks (GFlowNets).☆474Updated 10 months ago
- Code for the paper Iterated Denoising Energy Matching for Sampling from Boltzmann Densities.☆58Updated 3 months ago
- Generative Flow Networks☆644Updated 2 years ago
- ☆219Updated last year
- Code for "Biological Sequence Design with GFlowNets", 2022☆74Updated 2 years ago
- Benchmarks for Model-Based Optimization☆94Updated last year
- Graphium: Scaling molecular GNNs to infinity.☆233Updated 3 months ago
- A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks☆133Updated 3 years ago
- ☆30Updated 2 years ago
- ☆189Updated last year
- ☆34Updated last year
- ☆29Updated last month
- Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein…☆274Updated 7 months ago
- QGFN: Controllable Greediness with Action Values - Code☆10Updated last year
- Code to reproduce experiments in "Accelerating Bayesian Optimization for Protein Design with Denoising Autoencoders" (Stanton et al 2022)☆71Updated last year
- Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)☆265Updated last year
- FoldFlow: SE(3)-Stochastic Flow Matching for Protein Backbone Generation☆240Updated 7 months ago
- ☆18Updated 2 years ago
- [ICLR 2022] Data-Efficient Graph Grammar Learning for Molecular Generation☆96Updated last year
- Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language☆98Updated 10 months ago
- Learning energy decompositions for partial inference in GFlowNets☆16Updated last year
- ☆521Updated 3 years ago
- Code for the paper https://arxiv.org/abs/2402.04997☆88Updated last year
- gRNAde: Geometric Deep Learning for 3D RNA inverse design (ICLR 2025 Spotlight)☆210Updated 5 months ago
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆246Updated 5 months ago
- Code for our paper "Generative Flow Networks for Discrete Probabilistic Modeling"☆85Updated 2 years ago
- ALL Molecular ML papers from ICLR'25.☆38Updated 4 months ago
- A Library for Gaussian Processes in Chemistry☆239Updated 9 months ago