hannahbrucemacdonald Goto Github PK
Name: Hannah Bruce Macdonald
Type: User
Company: Chodera Lab // MSKCC
Name: Hannah Bruce Macdonald
Type: User
Company: Chodera Lab // MSKCC
Best practice document for alchemical free energy calculations going to livecoms journal
Hands-on exercises for a brief CMake tutorial
Folding@home COVID-19 efforts
Scripts and input files associated with docking and free energy calculations for the COVID Moonshot
Bayesian bandit for free energy simulations
Benchmark set for relative free energy calculations.
Experimental and calculated small molecule hydration free energies
Repository for Git tutorial for MolSSI Software Fellows
repo for the git tutorial at molssi
cookiecutter example
Enrich your data
CHARMM and AMBER forcefields for OpenMM
An OpenMM toolkit with test systems, integrators, and alchemical support
Experiments with expanded ensembles to explore chemical space
Minimal output from perses relative free energy calculations
Prepared JACS systems for use with Perses and anything OpenMM
Periodic table, physical constants, and molecule parsing for quantum chemistry.
A distributed compute and database platform for quantum chemistry.
results for benchmarking perses
scikit-learn: machine learning in Python
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.