takshan Goto Github PK

project_template

Improving your data science workflows with "make". A Pydata Global 2021 Talk

prolif

Protein-Ligand Interaction Fingerprints

prolif-1

Protein-Ligand Interaction Fingerprints

propka

PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.

proteinpatchanalysis

Codes to take a PDB and parcel it into a set of patches based on a voxel representation

pubchempy

Python wrapper for the PubChem PUG REST API.

pykvfinder

pyKVFinder: Python-C parallel KVFinder

pyprojecttemplate

pysmilesutils

Utilities for working with SMILES based encodings of molecules for deep learning (PyTorch oriented)

python-1

All Algorithms implemented in Python

python_for_microscopists

https://www.youtube.com/channel/UC34rW-HtPJulxr5wp2Xa04w?sub_confirmation=1

pytorch-template

PyTorch deep learning projects made easy.

pytorch3d-renderer

A PyTorch3D walkthrough and a Medium article 👋 on how to render 3D .obj meshes from various viewpoints to create 2D images.

qeppi

Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions

qml

QML: Quantum Machine Learning

rahulscipts

rascore

Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning

raw

The missing link between spreadsheets and data visualization

react_next

React and Next JS tutorial

readthedoc-test

references

Reference code used in articles

regex-generator

Generate regular expressions from sample texts.

reinvent

Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning

reinventcommunity

remote_work

research-contributions

Implementations of recent research prototypes/demonstrations using MONAI.

retinaface

The remake of the https://github.com/biubug6/Pytorch_Retinaface

ring

rl-mlzerd

sc-gan

SC-GAN: 3D self-attention conditional GAN with spectral normalization for multi-modal neuroimaging synthesis