lcbc-epfl / allmetal3dView external linksLinks
Metal and Water prediction
☆13Feb 5, 2025Updated last year
Alternatives and similar repositories for allmetal3d
Users that are interested in allmetal3d are comparing it to the libraries listed below
Sorting:
- ☆31Dec 12, 2024Updated last year
- Code for ApoDock☆21Apr 7, 2025Updated 10 months ago
- ☆43Jan 10, 2024Updated 2 years ago
- HyperMPNN ‒ A general strategy to design thermostable proteins learned from hyperthermophiles☆72Jul 2, 2025Updated 7 months ago
- Convergent motifs for binding sites☆26Dec 8, 2022Updated 3 years ago
- Complete saturation mutagenesis of a protein using ESM☆16Feb 20, 2024Updated last year
- Deep learning + physical modeling for 3D protein metal ion binding prediction☆13Feb 24, 2025Updated 11 months ago
- ☆47Sep 16, 2024Updated last year
- Extract ligand binding sites from PDB. Match the binding sites to de novo scaffolds.☆12Dec 29, 2020Updated 5 years ago
- FASSO: Functional Annotations using Sequence and Structure Orthology☆10Jan 17, 2023Updated 3 years ago
- An open-source platform for developing protein models beyond AlphaFold.☆12Jul 15, 2025Updated 7 months ago
- Implementation of NeurIPS24 paper "Generalized Protein Pocket Generation with Prior-Informed Flow Matching"☆19May 15, 2025Updated 9 months ago
- ☆32Feb 5, 2025Updated last year
- A script able to extract ligands from pdb structure(s) and remove them from the original structure. The ligands are identified according …☆15Jul 13, 2022Updated 3 years ago
- Utility scripts to generate and evaluate parametrically guided beta barrel protein backbone structures.☆14Nov 14, 2025Updated 3 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆61May 21, 2025Updated 8 months ago
- ☆34Dec 15, 2023Updated 2 years ago
- A benchmark dataset for protein-ligand co-folding prediction☆47Aug 13, 2025Updated 6 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆32May 6, 2024Updated last year
- ☆128Feb 9, 2026Updated last week
- ProteinDesign with RFdiffusion and ProteinMPNN/LigandMPNN☆22Mar 6, 2025Updated 11 months ago
- ☆18Mar 13, 2024Updated last year
- Neurally-derived Potts models for protein design, inspired by dTERMen☆14Aug 23, 2022Updated 3 years ago
- A DDG benchmark capture containing the benchmark dataset and benchmarked protocol captures.☆17Jan 31, 2016Updated 10 years ago
- ☆74Mar 19, 2025Updated 10 months ago
- MEGADOCK on Google Colaboratory☆20Oct 2, 2023Updated 2 years ago
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆175Oct 7, 2025Updated 4 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆56Oct 17, 2025Updated 3 months ago
- A program fror inter-protein contact prediction from structures of interacting proteins☆20Jun 1, 2024Updated last year
- A domain parser for Alphafold models☆46Dec 12, 2023Updated 2 years ago
- Codebase for our preprint using trRosetta to design proteins with discontinuous functional sites, found here: https://www.biorxiv.org/con…☆16Oct 27, 2021Updated 4 years ago
- This is the official code repository for the paper FLOP: Tasks for Fitness Landscapes Of Protein wildtypes by Groth et al.☆22Jun 26, 2023Updated 2 years ago
- A conditionally adapted protein language model for the generation of enzymes☆23Nov 26, 2024Updated last year
- code for IDR binding paper 2025☆67Feb 15, 2025Updated last year
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆54Jun 19, 2025Updated 7 months ago
- ☆14Jul 14, 2023Updated 2 years ago
- ☆23Aug 25, 2023Updated 2 years ago
- An open-source deep learning framework for data mining of protein-protein interfaces or single-residue variants.☆57Dec 18, 2024Updated last year
- Explicit crosslinks in AlphaFold 3☆23Mar 17, 2025Updated 10 months ago