rsdefever Goto Github PK
Name: Ryan S. DeFever
Type: User
Bio: Researcher with interests including statistical thermodynamics, liquids, path sampling methods, entropy, dimensionality reduction, and neural networks.
Twitter: rsdefever
Name: Ryan S. DeFever
Type: User
Bio: Researcher with interests including statistical thermodynamics, liquids, path sampling methods, entropy, dimensionality reduction, and neural networks.
Twitter: rsdefever
Antechamber plugin to foyer and support for the GAFF forcefield
Force field tuning for ammonium perchlorate
A repository for testing foyer atomtyping
Implement the block averaging procedure of Flyvbjerg and Peterson
Cassandra is a Monte Carlo package to conduct atomistic simulations.
A conda-smithy repository for cassandra.
Comparing Molecular Mechanics Potential Energies
Simple bond constraint solver
Quantum chemistry and solid state physics software package
A lightweight package with the periodic table of the elements
A conda-smithy repository for ele.
A package for atom-typing as well as applying and disseminating forcefields
A conda-smithy repository for foyer.
A foyer plugin for a GAFF-based ionic liquid force field
A generalized deep learning approach for local structure identification in molecular simulations. See https://doi.org/10.1039/C9SC02097G for full details.
Flexible storage of chemical topology for molecular simulation
Color palettes for gnuplot
Force field fitting for HFCs with fffit package
command line task management
Julia Workshop 2020 @ University of Oulu, Finnland
Lightweight class to extract and manipulate thermo info from lammps log files
A hierarchical, component based molecule builder
Examples of MoSDeF Cassandra
trying to build metalwalls for nersc cori
A repository to track the creation and evolution of the MiniDrugBank Molecule set
MoSDeF compatible wrapper for Cassandra Monte Carlo code
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.