Pinned Repositories
caret-machine-learning
Practical examples for the R caret machine learning package
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
keras_swish_beta
Keras with Swish Beta Activation Function
music-shops
Places to buy plugins, WAVs, loops, VST instruments and more
pka-calculations
pka calculations using quantum chemistry methods
quantum-xtb
Benchmarks and examples for Grimme's semiempirical GFNn-xTB
R-parallel
Using R with many CPUs
tensorflow-deep-learning
google tensorflow deep learning for big data examples
tobigithub's Repositories
tobigithub/caret-machine-learning
Practical examples for the R caret machine learning package
tobigithub/pka-calculations
pka calculations using quantum chemistry methods
tobigithub/covid19-SARS-CoV-2
Covid-19 (SARS-CoV-2) coronavirus
tobigithub/quantum-xtb
Benchmarks and examples for Grimme's semiempirical GFNn-xTB
tobigithub/keras_swish_beta
Keras with Swish Beta Activation Function
tobigithub/A-Primer-on-Using-the-Bioinformatics-Core-Administrated-Servers-and-Cluster-s-
A Primer on Using the Bioinformatics Core Administrated Servers and Cluster(s)
tobigithub/cloud-computing
A resource that discusses Azure, AWS and Google cloud and cluster computing
tobigithub/ConPLex
Adapting protein language models and contrastive learning for highly-accurate drug-target interaction prediction.
tobigithub/RecentWork
tobigithub/seneca
tobigithub/music-shops
Places to buy plugins, WAVs, loops, VST instruments and more
tobigithub/Collision-induced-dissociation
Collision-induced dissociation (CID) in mass spectrometry
tobigithub/deep-molecular-massspec
Mass Spectrometry for Small Molecules using Deep Learning
tobigithub/forcebalance
Systematic force field optimization.
tobigithub/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.
tobigithub/massspectra
tobigithub/ms2class
tobigithub/ms2class-1
tobigithub/NAMD-xtb-QMMM-interface
NAMD-xtb-QMMM-interface
tobigithub/orca-linux-deployment
Scripts and instructions for deploying ORCA quantum chemistry program on Linux.
tobigithub/pfp-sar
Structure–activity relationship analysis for the pentafluorophenyl library
tobigithub/prosit
ProteomeTools Spectrum predIction Tool
tobigithub/QCxMS
Quantum mechanic mass spectrometry calculation program
tobigithub/VFLP
VirtualFlow for Ligand Preparation
tobigithub/VFTools
tobigithub/VFVS
VirtualFlow for Virtual Screening
tobigithub/Virtual-Screening-files
tobigithub/wehrley.github.io
tobigithub/xtb
Semiempirical Extended Tight-Binding Program Package
tobigithub/xyz-scripts
collection of bash/AWK scripts for processing xyz coordinate files