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Name: Yifan Li李一帆
Type: User
Bio: PhD Candidate in Chemistry, Princeton University
Location: Princeton, NJ, USA
Name: Yifan Li李一帆
Type: User
Bio: PhD Candidate in Chemistry, Princeton University
Location: Princeton, NJ, USA
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
Tutorial: Crystallization of silicon using enhanced sampling simulations
This repository contains information for compiling and running software connected to the CSI project
a package for developing machine learning-based chemically accurate energy and density functional models
A lightweight DeepPotentialMD with JAX backend, and more than that! Built for both performance and flexibility.
A deep learning package for many-body potential energy representation and molecular dynamics
using deepmd models as CVs in plumed
Sphinx extension for DeepModeling projects
Repository to host the Docker images files
The home page of DeepModeling documentation.
A lammps fix module to perform path integral molecular dynamics (PIMD) tasks.
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
A quick tutorial of DeePMD for course GEO421.
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.
Analysis of the MD trajectories of the H2O system.
PIMD simulation of water with DP forcefield.
Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
i-PI: a universal force engine
Differentiable, Hardware Accelerated, Molecular Dynamics
Public development project of the LAMMPS MD software package
A conda-smithy repository for lammps-dp.
A conda-smithy repository for libdeepmd.
The final project of MSE512: Phase Transformations in Materials: Theory and Simulation
:potable_water: A tool to characterize the local structure of liquid water by geometric order parameters.
Input files to reproduce the results of the paper: Phase equilibrium of water with hexagonal and cubic ice using the SCAN functional
This repo is the tutorial on how to do phonon calculations.
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.