k-ujihara Goto Github PK
Name: Kazuya Ujihara
Type: User
Bio: Synthetic organic chemist. My professional interests are in agrochemicals, vector control.
Location: Takarazuka, Japan
Name: Kazuya Ujihara
Type: User
Bio: Synthetic organic chemist. My professional interests are in agrochemicals, vector control.
Location: Takarazuka, Japan
COM wrapper for NCDK
AutoDock for GPUs and other accelerators
AutoDock Vina
Open source documentation of Microsoft Azure
RDKit .NET wrapper for Windows/Linux.
The Chemistry Development Kit
Collection of auxiliary developer utilities used by the Chemistry Development Kit.
Import RTF and SDF of SciFinder output and create ChemFinder database
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
Chemical formatter for Microsoft Office
Microsoft Cognitive Toolkit (CNTK), an open source deep-learning toolkit
PDF concatenation tool
CReM: chemically reasonable mutations framework
Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
DeepSMILES - A variant of SMILES for use in machine-learning
Documentation repo for NuGet localized for ja-jp language-culture
Official implementation of "Generating 3D Molecules for Target Protein Binding"
Graphormer is a deep learning package that allows researchers and developers to train custom models for molecule modeling tasks. It aims to accelerate the research and application in AI for molecule science, such as material design, drug discovery, etc.
Implementation grünif.ai: Interactive multi-parameter optimization of molecules in a continuous vector space
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
kMoL is a machine learning library for drug discovery and life sciences, with federated learning capabilities.
KNIME Python Integration
Interfacing RDKit and AutoDock
Mol-CycleGAN - a generative model for molecular optimization
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.