willsheffler / rif
Rotamer Interaction Field Python Libraries for Computational Protein Design
☆11Updated 6 years ago
Related projects ⓘ
Alternatives and complementary repositories for rif
- Some scripts that I keep using over and over.☆18Updated 7 months ago
- Scripts and data deposition for de novo heterodimers manuscript☆10Updated 5 years ago
- Rosetta FunFolDes – a general framework for the computational design of functional proteins.☆18Updated 5 years ago
- Extract ligand binding sites from PDB. Match the binding sites to de novo scaffolds.☆11Updated 3 years ago
- Codebase for our preprint using trRosetta to design proteins with discontinuous functional sites, found here: https://www.biorxiv.org/con…☆16Updated 3 years ago
- ☆19Updated 2 years ago
- ☆24Updated 3 months ago
- Using Rotamer Interaction Fields from RIFGen/Dock in python☆16Updated 3 years ago
- Automated construction of protein chimeras and their analysis.☆14Updated last year
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆38Updated last year
- bakerlab pymol scripts☆9Updated 4 years ago
- De novo design of small molecule binding sites into proteins☆12Updated 3 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆27Updated 7 months ago
- an ultra-fast and accurate program for deterministic protein sidechain packing☆28Updated last year
- ☆35Updated 10 months ago
- DLPacker☆28Updated 2 months ago
- A Motif Hash Based Method for Matching Crosslinkers into Peptides and Proteins☆16Updated 9 months ago
- ☆24Updated last year
- Making Protein folding accessible to all!☆18Updated 10 months ago
- Modelling protein conformational landscape with Alphafold☆34Updated 3 weeks ago
- ☆14Updated 5 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆32Updated 2 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆24Updated last month
- A Light-Weight And Interpretable Molecular Docking Model☆13Updated 2 weeks ago
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆25Updated 4 months ago
- Implementation of Protein Invariant Point Packer (PIPPack)☆30Updated 5 months ago
- a fast and accurate physical energy function extended from EvoEF for protein sequence design☆24Updated last year
- This repository contains code for the paper: "Tertiary motifs as building blocks for the design of protein-binding peptides"☆15Updated 9 months ago
- Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutations☆25Updated last month