izzetbiophysicist Goto Github PK
Name: Lucas Machado
Type: User
Company: Fernandes Figueira Institute/Fiocruz
Bio: Postdoctoral Researcher || Computational Chemist/Computational Biologist || AI Scientist
Location: Rio de Janeiro
Lucas Machado's Projects
alphamissense_benchmark
Benchmark alphamissense predictions against ClinVar
artemis_results
Results of the artemis variant
artie93
Config files for my GitHub profile.
atom_renumber
Renumbers atoms in a molecule/residue using neighborhood coordinates
calculate_with_mordred
Calculates descriptors for an array of smiles using mordred
consensus_design
Scripts for consensus protein design using pyRosetta
data_convex_hull
Creates a convex hull arround a training set and defines which observations from another set are within the hull
domainfetcher
Fetches structures from the PDB and cuts them into single domain structures according to PFAM annotation
groupsgrimoire
Our group's tools, gadgets and sorceries for molecular modeling, protein engineering, virtual screening and machine learning
izzetbiophysicist
Config files for my GitHub profile.
lucas_machado_resume
Just a repository containing my résumé
mol_data_prep
A class with handy methods for preparing datasets of molecules for Machine Learning procedures
murcko_scaffold_frequencies
Extracts Murcko scaffolds from a set of molecules and counts scaffold frequencies
prot_eng_ga
In silico protein engineering using Genetic Algorithms and pyRosetta
protein_design_functions
Handy functions for protein design with pyRosetta
saturation_analysis
Makes pathogenicity prediction heatmaps from Rhapsody and AlphaMissense data
useful_gromacs_inputs
A set of useful gromacs inputs for molecular dynamics simulations
useful_machine_learning_stuff
Useful machine learning code
vcf_context
Fetches functional annotation, AlphaMissense Prediction and generates structures for variants on a VCF file
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