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a-primer-on-using-the-bioinformatics-core-administrated-servers-and-cluster-s-

A Primer on Using the Bioinformatics Core Administrated Servers and Cluster(s)

caret-machine-learning

Practical examples for the R caret machine learning package

cloud-computing

A resource that discusses Azure, AWS and Google cloud and cluster computing

collision-induced-dissociation

Collision-induced dissociation (CID) in mass spectrometry

conplex

Adapting protein language models and contrastive learning for highly-accurate drug-target interaction prediction.

coursera-data-science-specialization

Work done for the Data Science Specialization by Johns Hopkins University on Coursera

covid19-sars-cov-2

Covid-19 (SARS-CoV-2) coronavirus

deep-molecular-massspec

Mass Spectrometry for Small Molecules using Deep Learning

forcebalance

Systematic force field optimization.

ipo

A Tool for automated Optimization of XCMS Parameters - Install via: library(devtools) ; install_github("glibiseller/IPO")

kaggle

Code for completed Kaggle competitions

keras_swish_beta

Keras with Swish Beta Activation Function

lightgbm

A fast, distributed, high performance gradient boosting (GBDT, GBRT, GBM or MART) framework based on decision tree algorithms, used for ranking, classification and many other machine learning tasks. It is under the umbrella of the DMTK(http://github.com/microsoft/dmtk) project of Microsoft.

massspectra

ms2class

ms2class-1

music-shops

Places to buy plugins, WAVs, loops, VST instruments and more

namd-xtb-qmmm-interface

NAMD-xtb-QMMM-interface

orca-linux-deployment

Scripts and instructions for deploying ORCA quantum chemistry program on Linux.

pfp-sar

Structure–activity relationship analysis for the pentafluorophenyl library

pka-calculations

pka calculations using quantum chemistry methods

prosit

ProteomeTools Spectrum predIction Tool

qcxms

Quantum mechanic mass spectrometry calculation program

quantum-xtb

Benchmarks and examples for Grimme's semiempirical GFNn-xTB

r-parallel

Using R with many CPUs

r-quines

R quines or self replicating R code examples

recentwork

seneca

tensorflow-deep-learning

google tensorflow deep learning for big data examples

tobigithub.github.io

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