Pinned Repositories
applied-ai-for-materials
Course materials for "Applied AI for Materials Science and Engineering"
BREAKLAB
CBE30338
Chemical Process Control
data-repository
Simulation data, analysis notebook, and codes to reproduce our work
dmol-book
Deep learning for molecules and materials book (Korean translation)
materials_studio_scripts
A collection of perl scripts for Materials Studio for periodic structures
MLforMaterials
Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)
PACMAN-charge
SESAMI_web
The interface to the SESAMI analysis tools
simulation-input-files-that-works
Repository of simulation input files that works
mtap-research's Repositories
mtap-research/PACMAN-charge
mtap-research/data-repository
Simulation data, analysis notebook, and codes to reproduce our work
mtap-research/materials_studio_scripts
A collection of perl scripts for Materials Studio for periodic structures
mtap-research/simulation-input-files-that-works
Repository of simulation input files that works
mtap-research/MLforMaterials
Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)
mtap-research/SESAMI_web
The interface to the SESAMI analysis tools
mtap-research/applied-ai-for-materials
Course materials for "Applied AI for Materials Science and Engineering"
mtap-research/BREAKLAB
mtap-research/CBE30338
Chemical Process Control
mtap-research/dmol-book
Deep learning for molecules and materials book (Korean translation)
mtap-research/SESAMI_GUI
The interface to the SESAMI analysis tools
mtap-research/machine-learning-intro
Notebooks used to introduce scientists to machine learning
mtap-research/Markdowns
RStudio Markdowns about R, Math, Stats, and ML
mtap-research/math-methods-chemical-engineering
Course notes for the CMU course 06-262 Math Methods of Chemical Engineering (ODE's, linear algebra, PDEs, stats) in the form of jupyter notebooks
mtap-research/mpn_charges
predicting charges on MOF atoms via a message passing MOFs
mtap-research/openjournals-draft-action
Experimental GitHub Action
mtap-research/PapersBot
Read journal RSS feeds and tweet selected entries
mtap-research/PoreMatMod.jl
a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent crystal for a query fragment, then align and install a replacement fragment in its place.
mtap-research/raspa3
mtap-research/RUPTURA