jadeshi Goto Github PK

d3

deepchem

Deep-learning models for Drug Discovery and Quantum Chemistry

directional-gini

Modified Gini importance with direction of correlation information between feature and model prediction

eternabrain

Deep learning to solve RNA design puzzles

msmbuilder

Extensible software for building Markov State Models for Biomolecular Conformational Dynamics

msmbuilder-1

Statistical models for biomolecular dynamics

nma

Normal Mode Analysis for Macromolecules

odin

Structure determination from solution-phase experiments.

openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

quip_classification

scikit-learn

scikit-learn: machine learning in Python

sentrna

smfret

Code for computing theoretical single-molecule FRET efficiency histograms from simulated protein conformations.

ztdl-5-day-bootcamp

Zero to Deep Learning Bootcamp