VincentStimper / boltzmann-generatorsLinks
Implementation of methods to sample from Boltzmann distributions
☆20Updated 2 years ago
Alternatives and similar repositories for boltzmann-generators
Users that are interested in boltzmann-generators are comparing it to the libraries listed below
Sorting:
- Flow-matching for coarse graining of miniproteins.☆18Updated 2 years ago
- Differentiable Pairing using Alignment-based Language Models☆23Updated last year
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Updated last year
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆44Updated 8 months ago
- Repository for Fast Non-autoregressive Inverse Folding with Discrete Diffusion☆17Updated last year
- 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
- Efficient implementation of the IPA module.☆29Updated 2 weeks ago
- Geometric super-resolution for molecular geometries☆41Updated 3 years ago
- protein backbone refinement☆15Updated 10 months ago
- ☆30Updated last year
- DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces☆19Updated 3 months ago
- This repository contains a set of scripts for performing singular value decomposition on protein multiple sequence alignments, and analyz…☆11Updated 11 months ago
- [ICML 2025] Repurposing pre-trained score-based generative models for transition path sampling by minimizing the Onsager-Machlup (OM) act…☆17Updated last month
- Denoising diffusion probabilistic models for replica exchange☆24Updated 3 years ago
- A library of discrete objectives☆21Updated 2 weeks ago
- ☆13Updated 2 months ago
- Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.☆56Updated 11 months ago
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆58Updated last year
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆29Updated last year
- ☆10Updated last year
- Implementation of Protein Invariant Point Packer (PIPPack)☆34Updated last year
- A framework for training diffusion models with stable, self-consistent scores near the data distribution.☆26Updated 2 weeks ago
- Metrics to evaluate distributional coverage of generative models of protein structures.☆15Updated 7 months ago
- Benchmark for Biophysical Sequence Optimization Algorithms☆20Updated 2 months ago
- Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design☆39Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆51Updated 3 weeks ago
- MaxEnt code for fitting simulation outcomes/statistical models to observations☆16Updated 3 years ago
- Benchmarking code accompanying the release of `bioemu`☆39Updated 3 weeks ago
- Run OpenMM with forces provided by any Python program☆36Updated 7 months ago
- Official repository for discrete Walk-Jump Sampling (dWJS)☆53Updated last year