vktrannguyen / MLSF-protocolLinks
☆38Updated last year
Alternatives and similar repositories for MLSF-protocol
Users that are interested in MLSF-protocol are comparing it to the libraries listed below
Sorting:
- ☆37Updated 3 months ago
- ☆91Updated 4 months ago
- Fully automated high-throughput MD pipeline☆61Updated last week
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆48Updated last week
- ☆48Updated last month
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 3 months ago
- Python package to facilitate the use of popular docking software☆16Updated 2 years ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- ☆18Updated 2 years ago
- Computational Chemistry Workflows☆53Updated 2 years ago
- ☆36Updated 3 months ago
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆39Updated last year
- De novo drug design with deep interactome learning☆35Updated 2 weeks ago
- ☆28Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆34Updated 2 weeks ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆33Updated 4 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆59Updated 2 months ago
- Fully automated docking pipeline (can be run in distributed environments)☆44Updated 2 weeks ago
- Quick mapping of Uniprot sequences to PDB structures☆31Updated 2 months ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆23Updated 6 months ago
- Integrative modeling of PROTAC-mediated ternary complex☆27Updated 3 years ago
- ☆18Updated last year
- ☆33Updated last year
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 3 years ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆39Updated last month
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆46Updated last month
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated last year
- ☆33Updated 3 years ago
- MD pharmacophores and virtual screening☆33Updated last year
- An open library to work with pharmacophores.☆45Updated last year