amp91 / PeptideModels
Code for peptide ligand design with machine learning models.
☆24Updated 5 months ago
Alternatives and similar repositories for PeptideModels
Users that are interested in PeptideModels are comparing it to the libraries listed below
Sorting:
- ☆42Updated this week
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated 11 months ago
- ☆18Updated 6 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆38Updated 3 weeks ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated 11 months ago
- Ligand-Protein Interaction Mapping☆50Updated last week
- Binding pocket optimization based on force fields and docking scoring functions☆32Updated last month
- Fully automated high-throughput MD pipeline☆60Updated last week
- Quick mapping of Uniprot sequences to PDB structures☆31Updated last month
- ☆28Updated last month
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆33Updated 3 months ago
- Code for ApoDock☆20Updated last month
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆33Updated 2 weeks ago
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆18Updated last year
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆25Updated 3 years ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆41Updated last month
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆32Updated last year
- ☆38Updated last year
- ☆37Updated last year
- ☆33Updated last year
- PepFun 2.0: improved protocols for the analysis of natural and modified peptides☆22Updated last year
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆23Updated 5 months ago
- ☆51Updated 2 years ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆47Updated last week
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆54Updated 4 months ago
- De novo drug design with deep interactome learning☆33Updated 11 months ago
- ☆33Updated last month
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆21Updated this week
- Official repository of GENzyme☆49Updated 5 months ago
- Molecular Dynamics on Google Compute Engine, Colab, AWS (Amazon Web Services) and other Cloud Computing services☆16Updated 5 months ago