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MoFlow: an invertible flow model for generating molecular graphs
Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures
Codebase to accompany the paper A Look Inside the Black Box: Using Graph-Theoretical Descriptors to Interpret a Continuous-Filter Convolutional Neural Network (CF-CNN) trained on the Global and Local Minimum Energy Structures of Neutral Water Clusters.
Implementation of the paper - Automatic chemical design using a data-driven continuous representation of molecules
Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"
active learning for accelerated high-throughput virtual screening
MolRep: A Deep Representation Learning Library for Molecular Property Prediction
Single-file alternative to python-requests
Implementation of the paper "Neuraldecipher - Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structures" by Tuan Le, Robin Winter, Frank Noé and Djork-Arné Clevert
Molecule identifier from NMR spectrum using de novo molecule generator
Quantitative NMR analysis through least-squares fit of spectroscopy data
OSINT tool that allows you to find a person's accounts and emails + breached emails 🕵️
psi4+RDKit
Python module for quantum chemistry
This program is an automated trading bot that uses TDAmeritrades Thinkorswim trading platform's scanners and alerts system.
Quantum Nature
Quantum deep field for molecule
Platforms to predict reactivity for substitution reactions.
Python version of the amazing Reaction Mechanism Generator (RMG).
SchNetPack - Deep Neural Networks for Atomistic Systems
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
Virtually remove a face mask to see what a person looks like underneath
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
BioSTEAM's Premier Thermodynamic Engine
ThetaGang is an IBKR bot for collecting money
Differentiable ODE solvers with full GPU support and O(1)-memory backpropagation.
Scrapes Yahoo! Finance earnings calendar to get data for a specific date or a date range.
yq is a portable command-line YAML, JSON, XML, CSV and properties processor
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.