ajasja / prosculptView external linksLinks
Protein design and sculpting using Rosetta and Deep learning methods (RFDiff and Alphafold2)
☆47Updated this week
Alternatives and similar repositories for prosculpt
Users that are interested in prosculpt are comparing it to the libraries listed below
Sorting:
- Neural Iterative Selection-Expansion using LigandMPNN/LASErMPNN and Boltz-2x☆30Jan 23, 2026Updated 3 weeks ago
- All-Atom (Including Hydrogen!) Ligand-Conditioned Protein Sequence Design & Sidechain Packing GNN☆27Jan 13, 2026Updated last month
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆20Sep 12, 2024Updated last year
- Fold Conditioned protein design pipeline based on AF2Multimer Hallucination☆49Dec 2, 2025Updated 2 months ago
- ☆13Dec 5, 2024Updated last year
- ☆10Mar 9, 2024Updated last year
- ☆15Sep 29, 2025Updated 4 months ago
- A Python package to manage protein design workflows on computing clusters and local machines. Documentation can be found here: https://pr…☆37Jan 21, 2026Updated 3 weeks ago
- ☆21Oct 9, 2025Updated 4 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆118Feb 1, 2026Updated last week
- This repository contains the AlphaCutter.py for the removal of non-globular regions from predicted protein structures.☆16Jul 25, 2023Updated 2 years ago
- ☆15Jun 11, 2021Updated 4 years ago
- A pipeline that used ML model based on Rosetta descriptors to predict the binding affinity of protein-protein complexes☆49Oct 27, 2025Updated 3 months ago
- ☆67Oct 23, 2025Updated 3 months ago
- ☆27Aug 8, 2025Updated 6 months ago
- ☆18Mar 13, 2024Updated last year
- MD DaVis: A python package to analyze molecular dynamics trajectories of proteins☆17Feb 17, 2025Updated 11 months ago
- Rank binders by structure modeling☆16Mar 10, 2025Updated 11 months ago
- Modelling protein conformational landscape with Alphafold☆55Aug 29, 2025Updated 5 months ago
- POLYGON VAE For de novo Polypharmacology☆42Mar 5, 2025Updated 11 months ago
- Humanness of de-novo designed proteins☆39May 19, 2025Updated 8 months ago
- Code for running BinderFlow☆60Nov 21, 2025Updated 2 months ago
- Protein Sequence Design with Deep Learning and Tooling like Monte Carlo Sampling and Analysis☆63Oct 28, 2025Updated 3 months ago
- Sidechain conditioning and modeling for full-atom protein sequence design☆133Nov 11, 2025Updated 3 months ago
- ☆52Dec 10, 2025Updated 2 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆46Jan 28, 2026Updated 2 weeks ago
- ☆51Mar 24, 2025Updated 10 months ago
- ☆57Feb 4, 2026Updated last week
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆43May 15, 2024Updated last year
- ☆14Oct 5, 2024Updated last year
- ProteinReDiff: Complex-based ligand-binding proteins redesign by equivariant diffusion-based generative models☆39Nov 25, 2024Updated last year
- Weighted Ensemble Data Analysis and Plotting☆25Dec 11, 2025Updated 2 months ago
- A Motif Hash Based Method for Matching Crosslinkers into Peptides and Proteins☆24Jan 25, 2024Updated 2 years ago
- Design platform for creating single-chain polyhedral cages made from coiled-coil building modules☆23Oct 12, 2017Updated 8 years ago
- A bunch of shell utilities for dealing the silent files☆76Jan 5, 2026Updated last month
- Contributed and additional nodes for maize☆21Nov 4, 2025Updated 3 months ago
- SableBind is an open-source framework dedicated to predicting protein-ligand binding affinity☆13Feb 6, 2025Updated last year
- ☆13May 19, 2025Updated 8 months ago
- ☆11Jul 1, 2024Updated last year