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rnaimehaom's Projects

tinat icon tinat

Analysis of TINATs for neoantigen discovery upon epigenetic drug treatment

tinker icon tinker

Tinker: Software Tools for Molecular Design

tinker-hp icon tinker-hp

Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs

tinker9 icon tinker9

Tinker9: Next Generation of Tinker with GPU Support

tlars icon tlars

The Terminating-LARS (T-LARS) algorithm for high-dimensional early-terminated forward variable selection

tlopt icon tlopt

Inverse design of composite metal oxide optical materials

tmap icon tmap

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

tools icon tools

Python package with helper tools for the nf-core community.

topnetmab icon topnetmab

This is a TopNet machine learning method for SARS-CoV-2

topo-dda icon topo-dda

Topological optimization based on discrete dipole approximation

topo-tools-scripts icon topo-tools-scripts

Scripts for preparing input files for molecular dynamics simulations of gases in MOF-74 analogues using the DFT-derived force field in LAMMPS.

torchani icon torchani

Accurate Neural Network Potential on PyTorch

torchchem icon torchchem

An experimental repo for experimenting with PyTorch models

torchdrug icon torchdrug

A powerful and flexible machine learning platform for drug discovery

torchmd icon torchmd

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

torchopt icon torchopt

R implementation of advanced optimizers for torch

torchx icon torchx

TorchX is a universal job launcher for PyTorch applications. TorchX is designed to have fast iteration time for training/research and support for E2E production ML pipelines when you're ready.

torsiflex icon torsiflex

A program for the conformational search in flexible acyclic molecules

tox-cnn icon tox-cnn

Python-based tool for in vitro screening of drug-induced toxicity

tox21 icon tox21

My copy of the Tox21 dataset

tox21baseline icon tox21baseline

mirror of https://spotlite.nih.gov/opensource/tox21baseline.git

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