antonsperera Goto Github PK
Name: Anton Perera
Type: User
Company: University of Kentucky
Name: Anton Perera
Type: User
Company: University of Kentucky
:atom: The hackable text editor
An experimental open-source attempt to make GPT-4 fully autonomous.
AutoDock for GPUs and other accelerators
An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.
Avogadro superbuild project, builds Avogadro dependencies and then Avogadro itself
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
An awesome repository of community-curated applications of ChatGPT and other LLMs im computational biology
A curated list of Python packages related to chemistry
CheTo - Chemical Topic Modeling
APBS & PDB2PQR - software for biomolecular electrostatics and solvation
Explainer for black box models that predict molecule properties
A package for atom-typing as well as applying and disseminating forcefields
Powerful, efficient particle trajectory analysis in scientific Python.
Quickly convert large batches of data from Gaussian log files into searchable, indexed datasets.
tools for GROMACS
gromacs git repository
Code and examples to compute IR spectra from normal mode analysis
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
Workshop - Analysis of Molecular Dynamics Simulation Using Python
MDAnalysis wrapper around Packmol
MDplot: Visualise Molecular Dynamics
Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
a molecular descriptor calculator
mordred web interface
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.