A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
- drug-repurposing
- deep-learning
- drug-target-interactions
- toolkit
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Python-centric Cookiecutter for Molecular Computational Chemistry Packages
- cookiecutter
- python-packages
- molecular-sciences
- conda-environment
Source code for "DeepDTA: deep drug-target binding affinity prediction"
- protein-ligand-interactions
- convolutional-neural-networks
a unified framework for modeling chemically reactive systems
- chemical-equilibrium
- chemical-kinetics
- reactive-transport
- chemical-reactions
Optimising chemical reactions using machine learning
- chemistry
- machine-learning
- optimization
- bayesian-optimization
🔟 Implementation of rational number arithmetic for .NET with arbitrary precision.
- arbitrary-precision
- biginteger
- bigrational
- c-sharp
NeoDTI: Neural integration of neighbor information from a heterogeneous network for discovering new drug-target interactions
- computational-biology
- bioinformatics
- graph-convolution
- deep-learning
An ActionScript 3 Geometry Library
CGRs, molecules and reactions manipulation
AS3 port of hxGeomAlgo - Small collection of geometry algorithms in Haxe 3.
A library of Actionscript 3 classes for 3D Mathematics.
AS3 Linear Algebra library
Constructive Solid Geometry for Actionscript 3
A Do-Whatever Matrix-Math class in Actionscript 3
ActionScript port of Hilbert curve from cortesi/scurve