Merck / PepSeALinks
☆25Updated 3 years ago
Alternatives and similar repositories for PepSeA
Users that are interested in PepSeA are comparing it to the libraries listed below
Sorting:
- The official codebase of peptidy, a peptide processing tool for machine learning.☆32Updated 3 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 2 months ago
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆73Updated 11 months ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆40Updated 2 weeks ago
- Python package to atom map, correct and suggest enzymatic reactions☆40Updated last year
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆27Updated last month
- ☆17Updated 3 years ago
- Bioinformatics and Cheminformatics protocols for peptide analysis☆42Updated 2 years ago
- ☆48Updated 8 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆41Updated last year
- Cloud-based Drug Binding Structure Prediction☆37Updated 4 months ago
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆30Updated 2 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆27Updated 6 months ago
- Code for deep learning guided design of dynamic proteins☆30Updated last year
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- ☆43Updated 4 months ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆30Updated last year
- Scores for Hydrophobicity and Charges based on SASAs☆34Updated last month
- Docking Tool Benchmarking Workflow☆24Updated last year
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 10 months ago
- Dockerized Version of the DiffDock model from MIT☆13Updated 2 years ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- Efficient manipulation of protein structures in Python☆55Updated 9 months ago
- A Unified Approach to Protein Engineering☆42Updated last year
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆22Updated last year
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated 3 weeks ago
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆52Updated last month
- The code for the QuickVina homepage.☆33Updated 2 years ago