gvisani / hpackerLinks
☆18Updated 7 months ago
Alternatives and similar repositories for hpacker
Users that are interested in hpacker are comparing it to the libraries listed below
Sorting:
- Convert coarse-grained protein structure to all-atom model☆47Updated 6 months ago
- Benchmarking code accompanying the release of `bioemu`☆50Updated 2 weeks ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆58Updated 2 weeks ago
- ☆69Updated last year
- Structure prediction and design of proteins with noncanonical amino acids☆112Updated last week
- Generate intrinsically disordered peptide conformations via machine learning☆24Updated last year
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆53Updated 5 months ago
- A benchmark for 3D biomolecular structure prediction models☆67Updated 7 months ago
- A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.☆30Updated 3 years ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆52Updated last year
- ☆41Updated last year
- ☆78Updated last year
- ☆50Updated 11 months ago
- DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces☆19Updated 7 months ago
- Modelling protein conformational landscape with Alphafold☆54Updated 3 months ago
- ☆19Updated 8 months ago
- ☆37Updated 2 years ago
- mdml: Deep Learning for Molecular Simulations☆48Updated 6 months ago
- Precise Generation of Conformational Ensembles for Intrinsically Disordered Proteins with IDPFold☆25Updated last year
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆42Updated last year
- code for SeqDance/ESMDance, biophysics-informed protein language models☆41Updated 8 months ago
- Predicting mutational effects on protein binding from folding energy. ICML 2025.☆35Updated 4 months ago
- Flow-matching for coarse graining of miniproteins.☆18Updated 3 years ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆57Updated 6 months ago
- A benchmark dataset for protein-ligand co-folding prediction☆41Updated 3 months ago
- Fragment-based Molecular Expansion☆25Updated last year
- ☆32Updated 2 years ago
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆72Updated 2 weeks ago
- protein conformational spaces meet machine learning☆49Updated last week
- Deep generative modeling of protein structural ensembles☆31Updated 2 months ago