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jupyter-genomics

A collection of Jupyter notebooks authored by the UCSD Center for Computational Biology & Bioinformatics (http://compbio.ucsd.edu). These include methods on utilizing cloud computing resources and analysis of data from next-generation sequencing, systems biology, and microbiome.

jupyter_dock

Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.

jupyterlab-prodigy

🧬 A JupyterLab extension for annotating data with Prodigy

keras-molecules

Autoencoder network for learning a continuous representation of molecular structures.

keras-rcnn

Keras package for region-based convolutional neural networks (RCNNs)

kgcn

A graph-based deep learning framework for life science

kinase-conformational-modeling

Markov state modeling for kinase conformations

kinase_deep_learning_app

a flask application to predict kinase inhibition across 342 human kinases using multitask deep learning

kinodata

Collection of scripts / notebooks to reliably select datasets

kinoml

Structure-informed machine learning for kinase modeling

kissim

Subpocket-based fingerprint for kinase pocket comparison

kissim_app

Kinome-wide structural pocket similarity

kld2

knowtox_manuscript_si

kogia

Docker containers for bioinformatics with a small footprint

kronrlsmkl

Kronecker Regularized Least Squares with multiple kernels

lapjv

Linear Assignmment Problem solver using Jonker-Volgenant algorithm - Python 3 native module.

lazypredict

Lazy Predict help build a lot of basic models without much code and helps understand which models works better without any parameter tuning

leadd

Lamarckian Evolutionary Algorithm for de novo Drug Design

learn_machine_learning_in_3_months

This is the code for "Learn Machine Learning in 3 Months" by Siraj Raval on Youtube

learning-bioinformatics-at-home

resources for learning bioinformatics

lib-invent

lib-invent-dataset

lib_prep

Python package to analyse and prepare libraries of chemical compounds for molecular simulations.

ligan

Deep generative models for structure-based drug discovery

ligandmmpa

Prepare and fragmentate ligands for matched-molecular pair analysis

ligandnet

LigandNet, a tool which combines different machine learning models into one platform for the prediction of the state of the ligands either actives or inactives for a particular proteins.

ligpargen

ligtmap

LigTMap currently supports prediction for 17 protein target classes that include 6000+ protein targets.

lillymol

LillyMol Public Code