Alternatives and similar repositories for boltzmann-generators

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

• tiwarylab / DDPM_REMD
  Denoising diffusion probabilistic models for replica exchange
  ☆23Updated 3 years ago
• noegroup / flowm
  Flow-matching for coarse graining of miniproteins.
  ☆18Updated 2 years ago
• MachineLearningLifeScience / poli
  A library of discrete objectives
  ☆20Updated 2 weeks ago
• prescient-design / holo-bench
  Benchmark for Biophysical Sequence Optimization Algorithms
  ☆18Updated 2 weeks ago
• flagshippioneering / flash_ipa
  Efficient implementation of the IPA module.
  ☆21Updated last week
• Ferg-Lab / DiAMoNDBack
  DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces
  ☆19Updated 3 weeks ago
• plainerman / Variational-Doob
  Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
  ☆49Updated 2 months ago
• learningmatter-mit / GenZProt
  ☆27Updated last year
• leojklarner / context-guided-diffusion
  Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design
  ☆38Updated 10 months ago
• noegroup / bgmol
  Molecular mechanics systems and simulation data
  ☆16Updated last year
• compsciencelab / mdCATH
  This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…
  ☆42Updated 6 months ago
• johnyang101 / pmpnndiff
  Repository for Fast Non-autoregressive Inverse Folding with Discrete Diffusion
  ☆17Updated last year
• petergroth / FLOP
  This is the official code repository for the paper FLOP: Tasks for Fitness Landscapes Of Protein wildtypes by Groth et al.
  ☆22Updated last year
• vsomnath / flexdock
  Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)
  ☆41Updated 3 weeks ago
• Bitbol-Lab / DiffPALM
  Differentiable Pairing using Alignment-based Language Models
  ☆21Updated last year
• tiwarylab / simple-diffusion
  Demo of diffusion models #DDPM applied to molecular dynamics of small peptide
  ☆14Updated last year
• tiwarylab / af2rave
  Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
  ☆47Updated 3 weeks ago
• kirjner / GGS
  This repository implements Gibbs sampling with Graph-based Smoothing
  ☆38Updated last year
• wwang2 / CoarseGrainingVAE
  Geometric super-resolution for molecular geometries
  ☆40Updated 2 years ago
• olsson-group / ito
  ☆12Updated last year
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆26Updated last year
• Minys233 / Dynaformer
  ☆31Updated 11 months ago
• LarsHoldijk / SOCTransitionPaths
  ☆28Updated 2 years ago
• prescient-design / e3tools
  Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0
  ☆14Updated last week
• Kuhlman-Lab / PIPPack
  Implementation of Protein Invariant Point Packer (PIPPack)
  ☆32Updated last year
• Croydon-Brixton / proteinmpnn_wrapper
  A thin wrapper around ProteinMPNN for convenient sampling without having to write out or consume files
  ☆11Updated last year
• ProteinDesignLab / protein_shapes
  Metrics to evaluate distributional coverage of generative models of protein structures.
  ☆10Updated 5 months ago
• zanderharteveld / genesis
  protein backbone refinement
  ☆15Updated 8 months ago
• shirtsgroup / cg_openmm
  Tools to build coarse grained models and perform simulations with OpenMM
  ☆24Updated 2 years ago
• bjing2016 / scalar-fields
  Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms
  ☆29Updated last year