davidebr Goto Github PK
Name: Davide Branduardi
Type: User
Location: London, UK
Davide Branduardi's Projects
actions_test
benchml
ML benchmarking and pipeling framework
blog_material
scripts and material from blog entries
davidebr.github.io
just a webpage where I can put some stuff
espresso
The ESPResSo package - Plumed 2.0 enhanced. Specific docs at http://davidebr.github.io/espresso
openff-interchange
A project (and object) for storing, manipulating, and converting molecular mechanics data.
openff-toolkit
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
pathoptimizer
A pathcv/soma optimizer. Trying to refactor old clumsy stuff.
tradingdb
A simple set of tools to track shares
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