accsc Goto Github PK

alfa

ALFA - Automatic Ligand Flexibility Assignment

azorange

AstraZeneca add-ons to Orange.

beto

BETO - Spanish version of the BERT model

biocma

Consensus Multiple Alignment format, using Biopython classes.

biosea

clever

A framework for 3D molecular fields calculations

cmmismsa

An implementation of Classical Molecular Mechanics Implicit Solvation Model Surface Area (cMMISMSA)

combine

Comparative Binding Energy

crock

A very simple clone for Gaussian superimposition (ROCS-like)

crpkinetics

fragment-protocol

gasol

Genetic algorithm to convert 3D-RISM solvent densities to explicit water molecules in binding pockets

gips

Development and Distribution of Gips - Building Models for Solvation Thermodynamics

hts_ga

Genetic algorithm to design an optimal HTS fingerprint

kinconform

Machine learning approach to classifying kinase crystal structure conformations (fixed for new MDAnalysis API)

mmpdb

A package to identify matched molecular pairs and use them to predict property changes.

mutinf

Residue mutual information for MD simulations

pyiunstir

NLP framework for the Iberian language

rt-dumper

Tool for dumping ticket history with attachments from Best Practical RT

watsite

webeda

Web Based Exploratory Data Analysis app platform. Create responsive visualizations, data analysis, data processing, and PPT and Jupyter exports.