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symbolic_rxn

Integrating Deep Neural Networks and Symbolic Inference for Organic Reactivity Prediction

tangram_plipgui

Depict protein-ligand interactions, as calculated with PLIP, in UCSF Chimera

taolib

Tao Liu's open source libraries for bioinformatics (unstable, pre-alpha)

tape

Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different domains of protein biology.

target_predictions

targetnet

Shiny Web Application for Drug Target Identification with Large-Scale Public Binding Affinities Data

targetselectivity

Code to supplement "Large-scale bioactivity analysis of the small-molecule assayed proteome"

tarmet

An R package and Shiny App for MS-Based Targeted Metabolic Analyses

tcga-gaf-source

Source code for creating and manipulating the TCGA GAF data (version 3.0)

tcga_rnaseq_clinical

tdc

Therapeutics Data Commons: Machine Learning Datasets for Therapeutics

teaching-assistant-computational-genomics

Workshops, Course Schedule and Teaching Assistant Review from my time as a chosen Undergraduate Teaching Assistant for the University of Pittsburgh course, BIOSC1540 - Computational Genomics taught by Dr. Miler Lee.

tensorflow

Computation using data flow graphs for scalable machine learning

tensorflow__cheminformatics_smiles_to_pic50_convolutional-network

tensorwatch

Debugging, monitoring and visualization for Python Machine Learning and Data Science

teratogenicity-qsar

This repository contains supplemental code and data files for the publication "Machine learning on drug-specific data to predict small molecule teratogenicity" by Challa et al.

tf3p

Three-dimensional force fields fingerprints

tf_proteins

some tools for working with protein (PDB) files in tensorflow

tftraj

Molecular dynamics trajectory analysis in Tensorflow

tg-lasso

An algorithm for prediction of clinical drug response using preclinical cell line data in cancer

the-databases-for-drug-discovery

The Databases for Drug Discovery (DDD)

theano-dbns-for-drug-discovery

Massively Multitask Neural Networks for Drug Discovery

thermalizer

thermo

Thermodynamics, phase equilibria, transport properties and chemical database component of Chemical Engineering Design Library (ChEDL)

tidies

A Grammar of Data Manipulation for Omics Data

tmprss2

Code and documentation for QSAR modeling and virtual screening of small molecule TMPRSS2 inhibitors

tnlm_python_julia

Temporal Non-Local Means for Biomedical Image Processing implemented in both Python and Julia

tools-and-data

A collection of tools and databases for atomistic machine learning

torchmd

End-To-End Molecular Dynamics (MD) Engine using PyTorch

torsionnet

A Deep Neural Network to predict small molecule torsion energy profiles with the accuracy of QM