ferg-lab / pines Goto Github PK
View Code? Open in Web Editor NEWPermutationally invariant networks for enhanced sampling (PINES)
License: MIT License
Permutationally invariant networks for enhanced sampling (PINES)
License: MIT License
use standard print arg=pines.*
option to write pines. See issue #16.
For certain switching function parameters, output files written by using writepinestraj and print to colvar
. Potential instability due to precision.
It may be better to separate the processing of PDB to a separate helper function.
Helper code and parameterization process for rational switching function are needed.
Require documentation on parameters supported by pines
CV.
Use plumed driver --plumed --mf_xtc
without passing --pdb.
A declarative, efficient, and flexible JavaScript library for building user interfaces.
๐ 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. ๐๐๐
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 โค๏ธ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.