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umap-1

Uniform Manifold Approximation and Projection for Ruby

umwpl2021-hepatoxicity-prediction

umwpl2021-hepatoxicity-prediction-1

unair

Reproducible R code for paper titled Computing variable importance with unsupervised random forests

uni-fold

an open-source platform for developing protein models beyond AlphaFold.

unichem

A python package for mapping compounds via UniChem

uniprotr

Retrieving Information of Proteins from Uniprot

universalqcompiler

Synthesizing arbitrary quantum computations

uq_molecule

Uncertainty quantification of molecular property prediction using Bayesian deep learning

useful_files_for_de_novo_drug_design

Useful files for de novo drugs design

useful_gromacs_inputs

A set of useful gromacs inputs for molecular dynamics simulations

useful_rdkit_utils

Some useful RDKit functions

usmap

🗺 Create US maps including Alaska and Hawaii in R

usr-vs

istar-based webserver that implements the ultrafast shape recognition algorithms

uw-molecular-data-mining

Repository for chemical data extraction from literature corpora

uwot

An R package implementing the UMAP dimensionality reduction method.

vaccine-degradation-prediction

In this competition,we tried to predict degradation rates at each base of an RNA molecule, trained on a subset of an Eterna dataset comprising over 3000 RNA molecules (which span a panoply of sequences and structures) and their degradation rates at each position. We will then score your models on a second generation of RNA sequences that have just been devised by Eterna players for COVID-19 mRNA vaccines. These final test sequences are currently being synthesized and experimentally characterized at Stanford University in parallel to your modeling efforts.

vaccinology_tools

Determine cross-reactivity between peptide sequences based on short sliding windows and/or helical wheel homology of coiled-coil proteins

vae

Variational Autoencoders: Tutorial and Examples

vae-1

a simple vae and cvae from keras

vae-2

Variational Autoencoder in R

vae-drug-molecule-generation

Drug Molecule Generation with Convolutional Variational AutoEncoder

vae-embeddings

Physico-chemical and biological property prediction for small molecules

vae-for-de-novo-drug-design

vae-gan-tests

For VAE and GANs: Learning and applications to graph molecules

vae-molecular-generation

Molecular generative model based on Variational AutoEncoder (VAE)

vae_protein_function

Protein function prediction using a variational autoencoder

vae_rl_molecule_generation

The implementation for generating molecule using the combination of VAE and RL

vaemols

Variational Autoencoder for Molecules

vamo

Variational Autoencoder for Materials Optimization