Lucas Machado's Projects
Benchmark alphamissense predictions against ClinVar
Results of the artemis variant
Config files for my GitHub profile.
Renumbers atoms in a molecule/residue using neighborhood coordinates
Calculates descriptors for an array of smiles using mordred
Scripts for consensus protein design using pyRosetta
Creates a convex hull arround a training set and defines which observations from another set are within the hull
Fetches structures from the PDB and cuts them into single domain structures according to PFAM annotation
In silico protein engineering using Genetic Algorithms and pyRosetta
Our group's tools, gadgets and sorceries for molecular modeling, protein engineering, virtual screening and machine learning
Config files for my GitHub profile.
Just a repository containing my résumé
A class with handy methods for preparing datasets of molecules for Machine Learning procedures
Extracts Murcko scaffolds from a set of molecules and counts scaffold frequencies
Handy functions for protein design with pyRosetta
Makes pathogenicity prediction heatmaps from Rhapsody and AlphaMissense data
A set of useful gromacs inputs for molecular dynamics simulations
Useful machine learning code
Fetches functional annotation, AlphaMissense Prediction and generates structures for variants on a VCF file