paul-goldsmith Goto Github PK
Type: User
Type: User
The most recent version of the Applied Machine Learning notes
A curated list of Cheminformatics libraries and software.
A large benchmark dataset, Blood-Brain Barrier Database (B3DB), complied from 50 published resources.
Source code for 'Beginning Data Science in R' by Thomas Mailund
Official Python client for accessing ChEMBL API.
chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models
Message Passing Neural Networks for Molecule Property Prediction
A collection of datasets of ML problem solving
Gypsum-DL is a free, open-source program that converts 1D and 2D small-molecule representations (SMILES strings or flat SDF files) into 3D models. It outputs models with alternate ionization, tautomeric, chiral, cis/trans isomeric, and ring-conformational states.
Molecular MHFP fingerprints for cheminformatics applications
a molecular descriptor calculator
2018 RDKit UGM
Materials from the (virtual) 2020 RDKit UGM
Materials from the 2023 RDKit UGM
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.