kingscolour Goto Github PK

biosteam

The Biorefinery Simulation and Techno-Economic Analysis Modules; Chemical Process Simulation Under Uncertainty

bitcoin-surge-trading-alpha

Crypto trading bot that detects surges in the bitcoin price and executes trades.

bulma

Modern CSS framework based on Flexbox

cgcf-confgen

:test_tube: Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)

cgrtools

CGRs, molecules and reactions manipulation

chemicals

chemicals: Chemical database of Chemical Engineering Design Library (ChEDL)

chemprop

Message Passing Neural Networks for Molecule Property Prediction

dagu

Just another Cron alternative with a Web UI, but with much more capabilities. It aims to solve greater problems.

darkchem

data-science-ipython-notebooks

Data science Python notebooks: Deep learning (TensorFlow, Theano, Caffe, Keras), scikit-learn, Kaggle, big data (Spark, Hadoop MapReduce, HDFS), matplotlib, pandas, NumPy, SciPy, Python essentials, AWS, and various command lines.

decimer-image_transformer

DECIMER 1.0: Deep Learning for Chemical Image Recognition using Transformers

deep-synthesis

A deep learning framework for predicting chemical synthesis

deeprank-gnn

Graph Network for protein-protein interface

delinker

dig

A library for graph deep learning research

esp_dnn

A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces

ffmpeg.wasm

FFmpeg for browser and node, powered by WebAssembly

flowmo

Library for training Gaussian Processes on Molecules

fluids

Fluid dynamics component of Chemical Engineering Design Library (ChEDL)

fragmenter

Fragment molecules for quantum mechanics torsion scans

fuzzy

Spell checking and fuzzy search suggestion written in Go

gamestonkterminal

The next best thing after Bloomberg Terminal

gpt-gnn

Code for KDD'20 "Generative Pre-Training of Graph Neural Networks"

graph4nlp

Graph4nlp is the library for the easy use of Graph Neural Networks for NLP

graphinvent

Graph neural networks for molecular design.

graphvega

Open Source Options Analytics Platform.

jarvis

JARVIS-Tools: an open-source software package for data-driven atomistic materials design

micropython-mqtt

A 'resilient' asynchronous MQTT driver. Plus a means of using an ESP8266 to bring MQTT to non-networked targets.

micropython_ir

Nonblocking device drivers to receive from IR remotes and for IR "blaster" apps.

ml4chem

ML4Chem: Machine Learning for Chemistry and Materials