rnaimehaom Goto Github PK

renv

renv: Project environments for R.

reoptimize

Python tool to optimize reaction conditions for restriction enzyme digests of DNA

repitope

Epitope immunogenicity prediction through in silico TCR-peptide contact potential profiling.

repr-learn-protein

Deep generative modeling of protein molecules using VAE-variants

reproducible-computational-workflows

A Practical Introduction to Reproducible Computational Workflows (ISMB/ECCB 2019 Tutorial AM4)

reproducing-the-invention-of-a-named-reaction-zero-shot-prediction-of-unseen-chemical-reactions

resemble

resemble is an R package which implements functions dedicated to non-linear modelling of complex spectroscopy data

resimnet

Implementation of ReSimNet for drug response similarity prediction

reticulate

R Interface to Python

retraining_notebook

Using Jupyter Notebooks for Re-training Machine Learning Models

retrek

ReTReK: data-driven ReTrosynthesis planning application using Retrosynthesis Knowledge

retro-pytorch

Implementation of RETRO, Deepmind's Retrieval based Attention net, in Pytorch

retrobiocat

retrochem

A command-line tool for simple, single-step retrosynthetic reaction prediction using graph partitioning.

retrognn

Repository for the RetroGNN paper, JCIM/NeurIPS ML4Molecules, 10.1021/acs.jcim.1c01476

retropath2

Perform retrosynthesis to calculate possible metabolic routes from a collection of sink files to a target

retropath3

retropathrl

Reinforcement Learning based bioretrosynthesis tool

retroprime

Code for Single-step Retrosynthesis model Retroprime

retrorl

Learning retrosynthetic pathway design using simulated experience

retrosim

retrosim_enz

Enzymatic retrosynthesis by similarity

retrosynthesis

Applying deep neural networks for retrosynthesis tasks

retrosynthesis-1

Whole retrosynthesis pipeline using RetroRules, RetroPath2.0 and RP2paths

retrosynthesis-2

Codebase for retrosynthesis.com interface for AI-powered retrosynthetic predictions.

retrosynthesis-3

Chemistry retrosynthesis modeling

retrosynthesis-4

retrosynthesis-5

retrosynthesis-java

Utilization of SMARTS to detect when specific reactions can be used. Very basic and only intended to help me learn about CDK and cheminformatics.

retrosynthesis-nlp