Merck / PepSeA
☆21Updated 3 years ago
Related projects ⓘ
Alternatives and complementary repositories for PepSeA
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆25Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆24Updated last month
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 2 years ago
- MEGADOCK on Google Colaboratory☆14Updated last year
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆18Updated 2 years ago
- ☆31Updated last month
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Updated last year
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆24Updated 7 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆23Updated 9 months ago
- MOlecule fRagmenTAtion fRamework☆19Updated this week
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆31Updated 6 months ago
- PyDock Tutorial☆30Updated 6 years ago
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly☆16Updated 4 years ago
- Dockerized Version of the DiffDock model from MIT☆12Updated last year
- De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors☆18Updated 2 weeks ago
- Official Implementation of CompassDock☆14Updated last month
- Code for deep learning guided design of dynamic proteins☆17Updated 4 months ago
- Some scripts that I keep using over and over.☆18Updated 8 months ago
- Protein-Ligand Interaction Fingerprints☆19Updated 3 years ago
- ☆15Updated last year
- Active Learning-Assisted Directed Evolution for Protein Engineering☆25Updated this week
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆25Updated 2 years ago
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆13Updated this week
- CArbohydrate-Protein Site IdentiFier☆10Updated last year
- ☆35Updated 10 months ago
- ☆27Updated 6 months ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆26Updated 3 years ago
- Docking Tool Benchmarking Workflow☆20Updated 4 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆12Updated last month
- Bioinformatics and Cheminformatics protocols for peptide analysis☆35Updated last year