plinder-org / runs-n-posesLinks
A benchmark dataset for protein-ligand co-folding prediction
☆23Updated 4 months ago
Alternatives and similar repositories for runs-n-poses
Users that are interested in runs-n-poses are comparing it to the libraries listed below
Sorting:
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 8 months ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆16Updated 8 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆48Updated 2 weeks ago
- Convert coarse-grained protein structure to all-atom model☆39Updated 2 weeks ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆46Updated last month
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 3 months ago
- Quick mapping of Uniprot sequences to PDB structures☆31Updated 2 months ago
- PoseX: A Molecular Docking Benchmark☆41Updated 3 weeks ago
- ☆48Updated last month
- Cryptic pocket prediction using AlphaFold 2☆23Updated 2 years ago
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆24Updated last month
- scripts to find PBD structures for cancer driver proteins☆31Updated 4 months ago
- Code for ApoDock☆20Updated 2 months ago
- DyNoPy☆11Updated 9 months ago
- ☆32Updated last year
- ☆28Updated last year
- IDPFold test version☆21Updated 9 months ago
- Tools to build coarse grained models and perform simulations with OpenMM☆24Updated 2 years ago
- Structure prediction and design of proteins with noncanonical amino acids☆72Updated 3 weeks ago
- ☆37Updated 3 months ago
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆19Updated last year
- Tool to predict water molecules placement and energy in ligand binding sites☆28Updated last week
- Fully automated high-throughput MD pipeline☆61Updated last week
- A benchmark for 3D biomolecular structure prediction models☆60Updated last month
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆15Updated 7 months ago
- bakerlab pymol scripts☆23Updated 5 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated last month
- Modelling protein conformational landscape with Alphafold☆51Updated 2 weeks ago
- Fast, accurate, and deterministic protein side-chain packing☆31Updated 3 months ago