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A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at AstraZeneca.

Home Page: https://www.nature.com/articles/s42256-020-0174-5

License: MIT License

Python 91.97% Jupyter Notebook 8.03%
autoencoders denovo-design drug-discovery lstm-neural-networks molecules neural-network smiles-strings

deep-drug-coder's Introduction

From machine design to machine learning; I'm an autodidact developer, an ideator and a go-getter with demonstrated experience in AI-based drug design, robots and a sounding rocket of the European Space Agency. Top 5% overall on the leading DataScience StackExchange forum with my technical Q&A impact reaching >500k restless souls. I also sail boats, love techno and anything EVM-compatible.

๐ŸŒŽ https://pankotsias.com/


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I choose to code mostly in python and have diverse experience with packages for math/AI/ML (numpy, pandas, scipy, tensorflow.keras, torch, sklearn), chemistry (rdkit), data visualization (matplotlib, seaborn), crawling (requests, bs4), technical analysis (ta) and CI/CD (unittest, coverage) applications. Also experienced in scripting with bash, Dockerfile, and .github/workflows.

I currently maintain the open-source python APIs for two blockchain explorers; etherscan-python (Ethereum Explorer) and bscscan-python (Binance Smart Chain Explorer).

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