Alternatives and similar repositories for boltzmann-generators

Users that are interested in boltzmann-generators are comparing it to the libraries listed below

• tiwarylab / simple-diffusion
  Demo of diffusion models #DDPM applied to molecular dynamics of small peptide
  ☆14Updated 2 years ago
• noegroup / flowm
  Flow-matching for coarse graining of miniproteins.
  ☆19Updated 3 years ago
• Bitbol-Lab / DiffPALM
  Differentiable Pairing using Alignment-based Language Models
  ☆24Updated 2 years ago
• compsciencelab / mdCATH
  This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…
  ☆57Updated last month
• transferable-samplers / transferable-samplers
  A repo for transferable sampling of molecular systems
  ☆36Updated last month
• Ferg-Lab / DiAMoNDBack
  DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces
  ☆20Updated 9 months ago
• wwang2 / CoarseGrainingVAE
  Geometric super-resolution for molecular geometries
  ☆42Updated 3 years ago
• tiwarylab / DDPM_REMD
  Denoising diffusion probabilistic models for replica exchange
  ☆25Updated 3 years ago
• petergroth / FLOP
  This is the official code repository for the paper FLOP: Tasks for Fitness Landscapes Of Protein wildtypes by Groth et al.
  ☆22Updated 2 years ago
• johnyang101 / pmpnndiff
  Repository for Fast Non-autoregressive Inverse Folding with Discrete Diffusion
  ☆18Updated 2 years ago
• Minys233 / Dynaformer
  ☆34Updated last year
• noegroup / bgmol
  Molecular mechanics systems and simulation data
  ☆19Updated last year
• Profluent-Internships / ProCALM
  A conditionally adapted protein language model for the generation of enzymes
  ☆23Updated last year
• HySonLab / Ligand_Generation
  Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning
  ☆32Updated last year
• learningmatter-mit / GenZProt
  ☆27Updated last year
• MachineLearningLifeScience / poli
  A library of discrete objectives
  ☆24Updated 4 months ago
• BioinfoMachineLearning / GCPNet
  A geometry-complete SE(3)-equivariant perceptron network (GCPNet) for 3D graphs. (Bioinformatics)
  ☆52Updated 9 months ago
• microsoft / timewarp
  Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.
  ☆59Updated last year
• vsomnath / flexdock
  Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)
  ☆54Updated 7 months ago
• bjing2016 / scalar-fields
  Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms
  ☆31Updated 2 years ago
• leojklarner / context-guided-diffusion
  Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design
  ☆39Updated this week
• barricklab-at-jhu / SVD-of-MSAs
  This repository contains a set of scripts for performing singular value decomposition on protein multiple sequence alignments, and analyz…
  ☆11Updated last year
• flagshippioneering / flash_ipa
  [NeurIPS 2025 spotlight] Efficient factorized variant of the IPA module.
  ☆45Updated 2 months ago
• Genentech / walk-jump
  Official repository for discrete Walk-Jump Sampling (dWJS)
  ☆55Updated 2 years ago
• hits-mli / gafl
  Geometric Algebra Flow Matching (GAFL) for Protein Backbone Generation
  ☆17Updated 3 months ago
• Marco-Peg / GEP
  ☆15Updated last year
• alexjli / terminator_public
  Neurally-derived Potts models for protein design, inspired by dTERMen
  ☆14Updated 3 years ago
• prescient-design / holo-bench
  Benchmark for Biophysical Sequence Optimization Algorithms
  ☆20Updated 8 months ago
• ai4protein / VenusX
  ☆16Updated 4 months ago
• flagshippioneering / pi-rldif
  Code for RL-DIF
  ☆16Updated 7 months ago