aivant / pepprLinks
It's a package for evaluation of predicted poses, right?
☆57Updated last week
Alternatives and similar repositories for peppr
Users that are interested in peppr are comparing it to the libraries listed below
Sorting:
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆48Updated 2 weeks ago
- A benchmark for 3D biomolecular structure prediction models☆60Updated last month
- ☆68Updated 11 months ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆43Updated last week
- Fast, accurate, and deterministic protein side-chain packing☆31Updated 3 months ago
- Send data to and from pymol from a remote server (e.g. a cluster running deep learning workflows)☆27Updated 4 months ago
- Convert coarse-grained protein structure to all-atom model☆39Updated 2 weeks ago
- ☆44Updated 3 weeks ago
- ☆32Updated last year
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆19Updated last year
- Quick mapping of Uniprot sequences to PDB structures☆31Updated 2 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆72Updated 3 weeks ago
- Adding hydrogens to molecular models☆43Updated 7 months ago
- ☆78Updated last year
- Extension of ThermoMPNN for double mutant predictions☆33Updated 3 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 5 months ago
- ☆35Updated last week
- Code accompanying our blog post on a stronger docking baseline for Alpha Fold 3 docking☆21Updated last year
- mdml: Deep Learning for Molecular Simulations☆42Updated last month
- ☆40Updated last year
- Software for the prediction of DEER and PRE data from conformational ensembles.☆12Updated last month
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆46Updated last month
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆68Updated 2 weeks ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated last year
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆46Updated 4 months ago
- A benchmark dataset for protein-ligand co-folding prediction☆23Updated 4 months ago
- A python module to plot secondary structure schemes☆25Updated last year
- Sidechain conditioning and modeling for full-atom protein sequence design☆107Updated 3 months ago
- ☆50Updated 3 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆43Updated 7 months ago