tommyhuangthu / FASPRLinks
Fast, accurate, and deterministic protein side-chain packing
☆33Updated 6 months ago
Alternatives and similar repositories for FASPR
Users that are interested in FASPR are comparing it to the libraries listed below
Sorting:
- ☆68Updated last year
- Convert coarse-grained protein structure to all-atom model☆42Updated 2 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆57Updated 2 weeks ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated last month
- ☆42Updated last year
- DLPacker☆31Updated last year
- ☆28Updated last year
- A benchmark for 3D biomolecular structure prediction models☆64Updated 3 months ago
- Calculation of interatomic interactions in molecular structures☆105Updated 11 months ago
- Adding hydrogens to molecular models☆48Updated 9 months ago
- Code accompanying our blog post on a stronger docking baseline for Alpha Fold 3 docking☆21Updated last year
- Generate intrinsically disordered peptide conformations via machine learning☆23Updated last year
- Integrated physics-based and ligand-based modeling.☆64Updated 3 years ago
- ☆78Updated last year
- Simple protein-ligand complex simulation with OpenMM☆87Updated last year
- mdml: Deep Learning for Molecular Simulations☆47Updated 3 months ago
- Modeling with limited data☆59Updated last month
- A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.☆29Updated 3 years ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆69Updated 5 months ago
- ☆32Updated 2 years ago
- ☆69Updated 2 months ago
- FreeSASA Python Module☆56Updated 3 weeks ago
- Force Fields☆64Updated 7 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆77Updated last month
- ☆33Updated 2 years ago
- Structure prediction and design of proteins with noncanonical amino acids☆88Updated 3 weeks ago
- ☆84Updated last year
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆27Updated this week
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆66Updated 8 months ago
- A pocket volume analyzer for use in protein modeling.☆53Updated 2 years ago