isayev Goto Github PK
Name: Olexandr Isayev
Type: User
Company: Carnegie Mellon University
Bio: Connecting artificial intelligence (AI) with chemical sciences.
Twitter: olexandr
Location: Pittsburgh, PA
Name: Olexandr Isayev
Type: User
Company: Carnegie Mellon University
Bio: Connecting artificial intelligence (AI) with chemical sciences.
Twitter: olexandr
Location: Pittsburgh, PA
A data set of 20 million calculated off-equilibrium conformations for organic molecules
ANI-1 neural net potential with python interface (ASE)
Python-native(ish) implementation of Grimme's DFT-D3(BJ) correction for use in Atomic Simulation Environment (ASE)
A curated list of awesome Machine Learning frameworks, libraries and software.
COMP6 Benchmark dataset for ML potentials
Experimental screen of COVID inhibitors with SMILES strings and ChEMBL ids
real-time replication and versioning for data sets.
Materials Design Apps with Python and Flask
Open Content for self-directed learning in data science
meteorological visualisation utilities using R for science and teaching
Recipes for using Python's pandas library
Tutorial on scikit-learn and IPython for parallel machine learning
PlanOut is a library and interpreter for designing online experiments.
Automatically exported from code.google.com/p/pychem
Python materials analysis library powering the Materials Project
Deep Reinforcement Learning for de-novo Drug Design
Semantic empowers designers and developers by creating a shared vocabulary for UI.
A highly customizable Bootstrap 3 theme for WordPress
Simplex representation of molecular structure - a chemoinformatic tool for calculation of simplex descriptors
Repository containing files for my PyCon 2014 scikit-learn tutorial.
Accurate Neural Network Potential on PyTorch
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.