Aretas Gaspariunas (@aretasg)
github

aretasg

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Top repositories

1

dockit

High-throughput molecular docking with multiple targets and ligands using Vina series engines
Python
27
star
2

High-throughput-molecular-docking

High throughput molecular docking using AD Vina and virtual screening pipeline
Python
6
star
3

SolPred

Machine learning model to predict aqueous solubility of organic compounds
Jupyter Notebook
4
star
4

pacpac

Probe and cluster antibody paratopes and clonotypes
Python
3
star
5

preFold

Tool for peptide sequence foldability prediction (inspired by FoldIndex written in Python).
Python
2
star
6

findORF

Find open reading frames in a DNA FASTA file.
Python
2
star
7

amber-emm

Python utility script to perform energy minimisation on a small molecule PDB file using AmberTools
Python
1
star
8

Mass-spec-ion-statistics-calculator

Theoretical Mass Spectrometry spectra solver for peptide sequences.
Python
1
star