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scscore

se3-transformer-public

code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503

semi-supervised-pytorch

Implementations of different VAE-based semi-supervised and generative models in PyTorch

sgc

official implementation for the paper "Simplifying Graph Convolutional Networks"

sha1

SHA-1 implementation in C++. Do not use SHA-1 unless you have to! https://en.wikipedia.org/wiki/SHA-1#The_SHAppening

slide

slide_opt_ia

smiles-enumeration

SMILES enumeration for QSAR modelling using LSTM recurrent neural networks

smiles-to-iupac-translator

NMT based SMILES to IUPAC Translator

smoofaceengine

A high-performance demo for face recognition based on DL. (基于深度学习的高性能人脸识别引擎demo)

snns

Tutorials and implementations for "Self-normalizing networks"

sogcn

SoGCN: Second-Order Graph Convolutional Networks

soltrannet

Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility

solubility

An implementation of Delaney's ESOL method using the RDKit

sparrow

stacked_kernel

swish-torch

Swish Activation - PyTorch CUDA Implementation

tensorbox

Matlab package for Tensor decompositions

tensorflow

textcnn-conv-deconv-pytorch

text convolution-deconvolution auto-encoder model in PyTorch

tf3p

Three-dimensional force fields fingerprints

the-incredible-pytorch

The Incredible PyTorch: a curated list of tutorials, papers, projects, communities and more relating to PyTorch.

thesis-naim-mansour

Automatically exported from code.google.com/p/thesis-naim-mansour

timeup

Create Backups much like Time Machine, using rsync.

tmap

A very fast visualization library for large, high-dimensional data sets.

torchani

Accurate Neural Network Potential on PyTorch

ug-rnn_tf

Undirected Graph - Recursive Neural Networks for Chemoinformatics (TensorFlow)

vegans

A library providing various existing GANs in PyTorch.

vis-autoencoder-tsne

Autoencoder and t-SNE dim-reduction to visualize the MNIST dataset (and others)

vs-utils

Virtual screening and cheminformatics utilities