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A curated list of Python packages related to chemistry
bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.
An open-source effort towards accessible polymer data
Supporting code for post on Rust implementation of Byte pair Encoding
Python file to generate various features and molecular descriptors using RDKit and MayachemTools.
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
DeepSMILES - A variant of SMILES for use in machine-learning
Deep learning 201
Facebook AI Research Sequence-to-Sequence Toolkit written in Python.
Program to (a) scrape information on glass transition temperatures of polymers and (b) perform a Flory-Fox fit.
Efficient implementation of Hoeffding Distance in Python for large datasets
Repository for paper "Chemical Names Standardization using Neural Sequence to Sequence Model"
Python script to lookup pKa values
πPython Bootcamp 101
Materials for PyCon 2017 presentation on optimizing Pandas code
Byte Pair Encoding for Python!
Byte Pair Encoding (BPE)
Crawl data of compounds from [PubChem](https://pubchem.ncbi.nlm.nih.gov/).
A simple implementation of Random Forest Regression in python.
The official sources for the RDKit library
Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space of chemical reactions using attention-based neural networks" (http://rdcu.be/cenmd).
Robust representation of semantically constrained graphs, in particular for molecules in chemistry
SMILES Pair Encoding: A data-driven substructure representation of chemicals
A base for creating a Streamlit App for Web Scrapping
Unsupervised Word Segmentation for Neural Machine Translation and Text Generation
π€ Transformers: State-of-the-art Machine Learning for Pytorch, TensorFlow, and JAX.
A declarative, efficient, and flexible JavaScript library for building user interfaces.
π 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. πππ
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 β€οΈ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.