ptosco Goto Github PK
Name: Paolo Tosco
Type: User
Name: Paolo Tosco
Type: User
Code and resources for the EPSRC BioSimSpace project.
Bash's powerful command line editing in cmd.exe
Conda build recipe for the rdkit
Schrodinger-developed 2D Coordinate Generation
Public package repository for the Datagrok.ai platform
The Fastest Fourier Transform in the South
Software for automated processing of alchemical free energy calculations
The RDKit nodes for the KNIME Analytics Platform
Package scripts for MinGW-w64 targets to build under MSYS2.
Jupyter widget to interactively view molecular structures and trajectories
OCEAN - Optimized Cross rEActivity estimatioN
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Flexible and powerful data analysis / manipulation library for Python, providing labeled data structures similar to R data.frame objects, statistical functions, and much more
An HPC workload manager and job scheduler for desktops, clusters, and clouds.
The PHP Interpreter
Create PowerPoint presentations with a powerful, concise JavaScript API.
ptosco GitHub page
This is a generic C++ library that can be used to rapidly align two small molecules in 3D space, with shape - and optionally color - Tanimoto scoring. Included is a sample RDKit application whereby any two SDF-format chemicals are read in and aligned.
Generate stubs for python modules
Open-source foundation of the user-sponsored PyMOL molecular visualization system.
Jupyter Qt Console
The official sources for the RDKit library
A conda-smithy repository for rdkit.
A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
⚛️ RDKit Python Wheels on PyPI. 💻 pip install rdkit
wrapping RDKit to js using emscritpen
Sire Molecular Simulations Framework
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.