bingqingcheng Goto Github PK
Name: Bingqing Cheng
Type: User
Bio: I'm a computational material scientist, who is trying to make all the input files and data analysis notebooks of all my projects publicly available.
Name: Bingqing Cheng
Type: User
Bio: I'm a computational material scientist, who is trying to make all the input files and data analysis notebooks of all my projects publicly available.
“Ab initio thermodynamics of liquid and solid water” Bingqing Cheng, Edgar A. Engel, JÖrg Behler, Christoph Dellago and Michele Ceriotti
A small library for automatically adjustment of text position in matplotlib plots to minimize overlaps.
ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
Things that you should (and should not) do in your Materials Informatics research.
This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations using the thermodynamic integration method.
SI for the paper "Computing the Heat Conductivity of Fluids from Density Fluctuations"
How fast the interface between two phases can move enters the nucleation rate. Here we provide an example of how to compute the interface mobility using a stochastic model. Jupyter notebook included.
The LAMMPS input files and data analysis scripts used in the paper "Communication: Computing the Tolman length for solid-liquid interfaces"
Scripts, jupyter nbs, and general helpful stuff from COSMO by COSMO
Example scripts using the CSD Python API
a collection of scripts that convert between common file formats used in MD/DFT simulations
DFTB+ general package for performing fast atomistic simulations
Deep learning for molecules and materials book
Geometric Latent Diffusion Models for 3D Molecule Generation
Data repository for the paper "Diamond formation from hydrocarbon mixtures in planets"
SI data for "Same and interconvertible high-pressure ice phases"
i-PI: a universal force engine
Differentiable, Hardware Accelerated, Molecular Dynamics
Data sets used for linear regression benchmarks
Scripts for fine-tuning Meta Llama3 with composable FSDP & PEFT methods to cover single/multi-node GPUs. Supports default & custom datasets for applications such as summarization and Q&A. Supporting a number of candid inference solutions such as HF TGI, VLLM for local or cloud deployment. Demo apps to showcase Meta Llama3 for WhatsApp & Messenger.
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
Code Repository for Machine Learning with PyTorch and Scikit-Learn
Code for "Machine Learning for Physicists 2020" lecture series
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.