lilyminium Goto Github PK
Name: Lily Wang
Type: User
Company: @OpenForceField, @MDAnalysis
Bio: 🍜 She/her
Twitter: lilyminium
Location: Canberra, Australia
Name: Lily Wang
Type: User
Company: @OpenForceField, @MDAnalysis
Bio: 🍜 She/her
Twitter: lilyminium
Location: Canberra, Australia
Absolute solvation free energy calculations with OpenFF and OpenMM
Seamlessly integrate pydantic models in your Sphinx documentation.
A toolkit for data-driven force field design based on binary-encoded SMARTS
A modern, C++-native, header-only, test framework for unit-tests, TDD and BDD - using C++11, C++14, C++17 and later (or C++03 on the Catch1.x branch)
Repository for Chemical Perception Sampling Tools
Generate canonical molecule identifiers for quantum chemistry database
colours are hard
Installation notes for computational chemistry packages
A conda-smithy repository for conda-forge-repodata-patches.
Construct molecules from diverse scaffolds and fragments.
Cookiecutter for add-on packages for MDAnalysis
Python package built to ease deep learning on graph, on top of existing DL frameworks.
trying out SSE instructions for faster distance calculations
A conda-smithy repository for elementable.
Systematic force field optimization.
Fragment molecules for quantum mechanics torsion scans
A repository of Grimoirelab deployment configs for various projects
A brazen two-column theme for Jekyll.
Which atom is central in your improper torsion?
Regression testing Interchange's OpenMM export against the OpenFF Toolkit
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.