Pinned Repositories
100days
100 days of algorithms
chemblDocker
The ChEMBL database of molecules in a Docker environment
chemicalSmilesSpace
pyscreener
pythonic interface to virtual screening software
pyscreener_old
rafalbachorz.github.io
TRS-omix
rafalbachorz's Repositories
rafalbachorz/chemblDocker
The ChEMBL database of molecules in a Docker environment
rafalbachorz/chemicalSmilesSpace
rafalbachorz/pyscreener
pythonic interface to virtual screening software
rafalbachorz/pyscreener_old
rafalbachorz/rafalbachorz.github.io
rafalbachorz/TRS-omix
rafalbachorz/100days
100 days of algorithms
rafalbachorz/aaas
rafalbachorz/aws.s3
Amazon Simple Storage Service (S3) API Client
rafalbachorz/cookiecutter-data-science
A logical, reasonably standardized, but flexible project structure for doing and sharing data science work.
rafalbachorz/Deep-Drug-Coder
A tensorflow.keras generative neural network for de novo drug design, published in Nature Machine Intelligence while working at AstraZeneca.
rafalbachorz/DRSApy
rafalbachorz/Graph_Convolutional_LSTM
Traffic Graph Convolutional Recurrent Neural Network
rafalbachorz/hacker-blog
Hacker-Blog is a minimalistic, responsive jekyll theme built for hackers. https://ashishchaudhary.in/hacker-blog
rafalbachorz/mlflow_minio
rafalbachorz/moltransformer
rafalbachorz/moses
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
rafalbachorz/mp2f12
The MP2-F12(3*C) code
rafalbachorz/openforcefield
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
rafalbachorz/ORGANIC
Code repo for optimizing distributions of molecules.
rafalbachorz/papers-for-molecular-design-using-DL
List of molecular design using Generative AI and Deep Learning
rafalbachorz/ppqm
Enable cheminformatics and quantum chemistry
rafalbachorz/PyBioMed
machine learning, molecular descriptor
rafalbachorz/python-sample-vscode-flask-tutorial
Sample code for the Flask tutorial in the VS Code documentation
rafalbachorz/qsprmodeler
rafalbachorz/scikit-mol
scikit-learn classes for molecular vectorization using RDKit
rafalbachorz/smina-code
smina: docking program, a private repo taken from: https://git.code.sf.net/p/smina/code
rafalbachorz/tst
rafalbachorz/tsttst
rafalbachorz/UGM_2022
Materials from the 2022 UGM