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ramachandran

Ramachandran Plot Tool

rax

Rax is a Learning-to-Rank library written in JAX.

real-time-financial-data

Real-time financial data extraction SW

reciprocalspaceship

Tools for exploring reciprocal space

recurrentgeometricnetworkendtoenddifferentiablelearningproteinstructure

Recurrent Geometric Networks for end-to-end differentiable learning of protein structure

reinforcement-learning

Minimal and Clean Reinforcement Learning Examples

reinforcement-learning-an-introduction

Python Implementation of Reinforcement Learning: An Introduction

reinforcement-learning-with-tensorflow

Simple Reinforcement learning tutorials, 莫烦Python 中文AI教学

reinforcement-learning2

Implementation of Reinforcement Learning Algorithms. Python, OpenAI Gym, Tensorflow. Exercises and Solutions to accompany Sutton's Book and David Silver's course.

reinforcement-learning3

Learn Deep Reinforcement Learning in 60 days! Lectures & Code in Python. Reinforcement Learning + Deep Learning

reinvent

Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning

relsis

Package to perform structural reliability analysis in python

renderingmoleculestutorial

MIT 20.S947 course on 3D scientific rendering

renom

ReNom - http://renom.jp/index.html

reversi-alpha-zero

Reversi reinforcement learning by AlphaGo Zero methods.

rfdiffusion

Code for running RFdiffusion

robotics-toolbox-python

Robotics Toolbox for Python

robustness

Corruption and Perturbation Robustness (ICLR 2019)

rosettasurf

rvae

sa-ddi

saadcudachebyshevlanczos

A package based on Chebyshev approximation for accelerating large sparse eigenvalue computations using CUDA.

sagemaker-experiments

Experiment tracking and metric logging for Amazon SageMaker notebooks and model training.

sake-pytorch

Spatial Attention on K-Hop Neighborhood with Equivariance

sassena

Sassena — X-ray and neutron scattering calculated from molecular dynamics trajectories using massively parallel computers

scaffold_hopping_whales

Code to perform scaffold hopping and virtual screening using WHALES descriptors.

scalinggraphneuralnetworkswithapproximatepagerank

PPRGo model in PyTorch, as proposed in "Scaling Graph Neural Networks with Approximate PageRank" (KDD 2020)

scholarly

Retrieve author and publication information from Google Scholar in a friendly, Pythonic way without having to worry about CAPTCHAs!

scikit-nano

python toolkit for nanoscience

scimlsensitivity.jl

A component of the DiffEq ecosystem for enabling sensitivity analysis for scientific machine learning (SciML). Optimize-then-discretize, discretize-then-optimize, and more for ODEs, SDEs, DDEs, DAEs, etc.