garywei944 / FMolLinks
A simplified drug discovery pipeline -- generating SMILE molecular with AlphaSMILES, predicting protein structure with AlphaFold, and checking the druggability with fpocket/Amber.
☆17Updated 4 years ago
Alternatives and similar repositories for FMol
Users that are interested in FMol are comparing it to the libraries listed below
Sorting:
- Python package to atom map, correct and suggest enzymatic reactions☆42Updated last year
- Structure prediction of alternative protein conformations☆80Updated 11 months ago
- dMaSIF implementation for google colab☆36Updated 2 years ago
- AlphaLink2: Integrating crosslinking MS data into Uni-Fold-Multimer☆62Updated 5 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆30Updated 4 months ago
- Bioinformatics and Cheminformatics protocols for peptide analysis☆45Updated 3 years ago
- Parametric Building of de novo Functional Topologies☆44Updated 3 years ago
- Code for designing binders to flexible peptides with AlphaFold2 Hallucination☆29Updated 2 years ago
- The DSSP building software☆50Updated 2 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated 2 years ago
- ☆21Updated 2 years ago
- ☆56Updated last month
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 8 months ago
- Ultra-fast in-silico structure mutation☆36Updated 10 months ago
- ☆74Updated 10 months ago
- Plugin for folding sequences directly in PyMOL☆27Updated 6 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆61Updated 8 months ago
- Machine learning prediction of enzyme optimum pH☆50Updated 9 months ago
- One protein is all you need (ICLR 2026)☆67Updated last month
- Code and data used in https://doi.org/10.1101/2021.08.01.454656☆54Updated 3 years ago
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆29Updated 7 months ago
- Python package to manage protein structures and their annotations☆45Updated last year
- ☆27Updated 4 years ago
- The official codebase of peptidy, a peptide processing tool for machine learning.☆36Updated 9 months ago
- A Rust implementation of the LightDock macromolecular docking software☆29Updated last year
- Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a…☆51Updated 3 years ago
- Adapting protein language models for structure-conditioned design☆40Updated last year
- Potts model-based protein sequence design☆80Updated 3 weeks ago
- ☆37Updated 2 years ago
- Physical energy function for protein sequence design☆36Updated 2 years ago