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openmoltools

An open set of tools for automating tasks relating to small molecules

phys517

plip

Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294

poker

RPI RCOS project

pydata-book

Materials and IPython notebooks for "Python for Data Analysis" by Wes McKinney, published by O'Reilly Media

pymbar

Python implementation of the multistate Bennett acceptance ratio (MBAR)

pythondatasciencehandbook

Jupyter Notebooks for the Python Data Science Handbook

pytorch_cluster

PyTorch Extension Library of Optimized Graph Cluster Algorithms

r4ds

R for data science

r_programming

ria2

Source code for R in Action, Second Edition

scientific-python-lectures

Lectures on scientific computing with python, as IPython notebooks.

speedppi

Rapid protein-protein interaction network creation from multiple sequence alignments with Deep Learning

stat-learning

Notes and exercise attempts for "An Introduction to Statistical Learning"

tankbind

Open source code for TankBind. Galixir Tenchnologies

thermonet

ThermoNet is a computational framework for quantitative prediction of the impact of single-point mutations on protein thermodynamic stability. The core algorithm of ThermoNet is an ensemble of deep 3D convolutional neural networks.

thrust

Thrust is a parallel algorithms library which resembles the C++ Standard Template Library (STL).

tractor

RPI RCOS project

tractor-rpi-v2

new version

tractor1

tractor_rpi

truthtree

whirlwindtourofpython

The Jupyter Notebooks behind my OReilly report, "A Whirlwind Tour of Python"