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amazon-sagemaker-examples

Example notebooks that show how to apply machine learning, deep learning and reinforcement learning in Amazon SageMaker

att-chemprot

autodock-vina

AutoDock Vina

bacteriocin_paper

All the notebooks and files for the bacteriocin prediction paper

biopython

Official git repository for Biopython (originally converted from CVS)

biovec

A new approach for representing biological sequences

bisheng

Bisheng is an open LLM devops platform for next generation AI applications.

chemflow_py

Computational toolbox for virtual High Throughput Screening

chemprop

Message Passing Neural Networks for Molecule Property Prediction

controlled-peptide-generation

source code for https://arxiv.org/abs/2005.11248 "Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular Dynamics"

deepbinner

a signal-level demultiplexer for Oxford Nanopore reads

deepchem

Deep-learning models for Drug Discovery and Quantum Chemistry

denovoprofiling

DenovoProfiling: a webserver for de novo generated molecule library profiling.

dl-anti-osteoporosis

Deep learning enables discovery of highly potent anti-osteoporosis natural products

dual-dropoutgcn

fasttargetpred

Target prediction

forgenet

forgeNet: FORest Graph-Embedded deep feedforward NETwork

generation-under-synthetic-constraint

gorbac

goRBAC provides a lightweight role-based access control (RBAC) implementation in Golang.

kegg-annotation

machine-learning-summary

My own study summary,including machine learning knowledge with codes.

martini

Classy web framework for Go

mdeep

metaboanalystr

R package for MetaboAnalyst

microbiome_helper

A repository of bioinformatic scripts, SOPs, and tutorials for analyzing microbiome data.

mol2vec

Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures

moo-denovo

Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization

mordred

a molecular descriptor calculator

moses

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

msa

Modular BioJS compoment for a multiple sequence alignment