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.☆19Updated 2 years ago
- Demo of diffusion models #DDPM applied to molecular dynamics of small peptide☆14Updated last year
- Repository for Fast Non-autoregressive Inverse Folding with Discrete Diffusion☆17Updated last year
- Efficient factorized variant of the IPA module.☆29Updated last month
- Denoising diffusion probabilistic models for replica exchange☆24Updated 3 years ago
- 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
- DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces☆19Updated 4 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆46Updated 9 months ago
- Geometric super-resolution for molecular geometries☆41Updated 3 years ago
- A conditionally adapted protein language model for the generation of enzymes☆23Updated 9 months ago
- ☆31Updated last year
- A library of discrete objectives☆23Updated 2 months ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆50Updated 3 months ago
- Timewarp is a research project using deep learning to accelerate molecular dynamics simulation.☆56Updated last year
- Differentiable Pairing using Alignment-based Language Models☆24Updated last year
- A geometry-complete SE(3)-equivariant perceptron network (GCPNet) for 3D graphs. (Bioinformatics)☆47Updated 4 months ago
- Implementation of Protein Invariant Point Packer (PIPPack)☆35Updated last year
- Benchmarking code accompanying the release of `bioemu`☆43Updated 2 months ago
- Target-aware Variational Auto-encoders for Ligand Generation with Multimodal Protein Representation Learning☆30Updated last year
- ☆27Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆58Updated last month
- protein structure generation with sparse all-atom denoising models☆36Updated last month
- This repository contains a set of scripts for performing singular value decomposition on protein multiple sequence alignments, and analyz…☆11Updated last year
- Metrics to evaluate distributional coverage of generative models of protein structures.☆16Updated last month
- [ICML 2025] Repurposing pre-trained score-based generative models for transition path sampling by minimizing the Onsager-Machlup (OM) act…☆17Updated 2 months ago
- A framework for training diffusion models with stable, self-consistent scores near the data distribution.☆26Updated last month
- Bayesian Optimization with Pretrained Protein Sequence Models☆56Updated last year
- Run OpenMM with forces provided by any Python program☆37Updated 8 months ago
- protein backbone refinement☆15Updated last year
- Structural Quality Assessment for Biomolecular Structure Prediction Models☆50Updated last week