Pinned Repositories
applied-ai-for-materials
Course materials for "Applied AI for Materials Science and Engineering"
CBE30338
Chemical Process Control
cmcp-group.github.io
Molecular Thermodynamics and Advanced Processes Laboratory
data-repository
Simulation data, analysis notebook, and codes to reproduce our work
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)
SESAMI_GUI
The interface to the SESAMI analysis tools
SESAMI_web
The interface to the SESAMI analysis tools
simulation-input-files-that-works
Repository of simulation input files that works
SESAMI_web
The interface to the SESAMI analysis tools
cmcp-group's Repositories
cmcp-group/cmcp-group.github.io
Molecular Thermodynamics and Advanced Processes Laboratory
cmcp-group/materials_studio_scripts
A collection of perl scripts for Materials Studio for periodic structures
cmcp-group/data-repository
Simulation data, analysis notebook, and codes to reproduce our work
cmcp-group/SESAMI_web
The interface to the SESAMI analysis tools
cmcp-group/simulation-input-files-that-works
Repository of simulation input files that works
cmcp-group/applied-ai-for-materials
Course materials for "Applied AI for Materials Science and Engineering"
cmcp-group/CBE30338
Chemical Process Control
cmcp-group/cmcp-research-group
cmcp-group/dmol-book
Deep learning for molecules and materials book (Korean translation)
cmcp-group/Markdowns
RStudio Markdowns about R, Math, Stats, and ML
cmcp-group/MLforMaterials
Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)
cmcp-group/SESAMI_GUI
The interface to the SESAMI analysis tools
cmcp-group/GCNCharges
cmcp-group/machine-learning-intro
Notebooks used to introduce scientists to machine learning
cmcp-group/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
cmcp-group/mpn_charges
predicting charges on MOF atoms via a message passing MOFs
cmcp-group/openjournals-draft-action
Experimental GitHub Action
cmcp-group/PapersBot
Read journal RSS feeds and tweet selected entries
cmcp-group/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.
cmcp-group/RUPTURA