jiayuanchng Goto Github PK
Name: JY Chng
Type: User
Name: JY Chng
Type: User
Example tools for modeling adsorption processes using the API tools from http://adsorption.nist.gov
Repository for benchmarking graph neural networks
Cube files plotting machine
Message Passing Neural Networks for Molecule Property Prediction
CmuMD implementation for PLUMED2
Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer
Deep learning system course
Example Python code, Jupyter Notebooks, and other files for the IDAES PSE
Facebook AI Research Sequence-to-Sequence Toolkit written in Python.
FOQUS: Framework for Optimization and Quantification of Uncertainty and Surrogates
GAMSPy Modelling Examples
GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)
Workshop lesson material for the GNN and Transformers workshop
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.
automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
Membrane Separation Model: Updated hollow fiber membrane model and system example for carbon capture.
A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit
Pythonic scripting interface for Comsol Multiphysics
Development version of plumed 2
A suite of process models implemented in both Aspen Custom Modeler and gPROMS Model Builder, as well as models implemented within Aspen Plus and Aspen Plus Dynamics.
Workshop tutorials for Pyomo.DoE
pytorch implementation of structure2vec (https://arxiv.org/abs/1603.05629)
This is a model formulation to optimize the structure of a carbon capture system. The main objective of the model is to minimize the total cost, which includes capital, operating, maintenance, utilities, and power costs to achieve at least a 90% CO2 capture target.
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.