RyanMellor
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This is the offical repository of paper "LAMBDA: A large Model Based Data Agent". https://www.polyu.edu.hk/ama/cmfai/lambda.html
Schedule-Free Optimization in PyTorch
Automated coarse-graining of polyethylenimine with any branched architecture and protonation state.
Coarse-grained mapping and parametrisation for the Martini 3 forcefield
Packmol - Initial configurations for molecular dynamics simulations
Message Passing Neural Networks for Molecule Property Prediction
A Python toolkit for the analyis of lipid membrane simulations
Describe and apply transformation on molecular structures and topologies
Force fields produced by the Open Force Field Initiative
OpenMM is a toolkit for molecular simulation using high performance GPU code.
python simulation interface for molecular modeling
Interactive data analysis and visualisation with chemical intelligence
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.
Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package
Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
RadonPy is a Python library to automate physical property calculations for polymer informatics.
Instructions, source code, and misc. resources needed for building a Tiny ML-powered artificial nose.
The Fastest way to build apps in python
Monaco editor (Visual Studio Code) for Streamlit
Node graph framework that can be re-implemented into applications that supports PySide2
Material inspired stylesheet for PySide2, PySide6, PyQt5 and PyQt6
A fluent design widgets library based on C++ Qt/PyQt/PySide. Make Qt Great Again.
Univer is an open-source alternative to Google Sheets, Slides, and Docs