bundaberg-joey Goto Github PK

ame2

code for two-stage prospector

ame_1_hmof

async_raspa2

cgcnn

Crystal graph convolutional neural networks for predicting material properties.

chem-fp-lambda-entropy

Analysis of the effects of related chemical fingerprints with an eigenvalue entropy approach

chemsci

API for feature engineering in Cheminformatics Tasks

dgraphdta

a novel DTA predition method using graph neural network

flatscraper

Collection of property details

functions-classes-oop

graphml-tutorials

Tutorials for Machine Learning on Graphs

impedance.py

A Python package for working with electrochemical impedance data

ir_analyser

kfcv

"Kluster Fold Cross Validation" - KFCV

labmate.ml

ml4mc

mle-flashcards

200+ detailed flashcards useful for reviewing topics in machine learning, computer vision, and computer science.

mlscratch

Implementations of popular machine learning algorithms I've come acrossed during graduate studies / further development

mtgindex

pconsc4

Fast and easy contact prediction.

pybanez

Tool for guitarists looking to practise scales

pyscreener

pythonic interface to virtual screening software

pytorch-beginner

pytorch tutorial for beginners

pytorch-tutorial

PyTorch Tutorial for Deep Learning Researchers

raspa2

docker raspa installation and associated scripts

repeat

This is a code to generate Repeating Electrostatic Potential Extracted ATomic (REPEAT) charges to periodic systems.

sparse_mkl

tdc

Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development

vigenere-cypher

Implementation of Vigenere Cipher as a command line tool

xekrsurrogatescreening