Pinned Repositories
awesome-adsorption
Awesome list of open source tools that can help simulate, treat understand or disseminate adsorption data.
ClipDigest
colorjeopardy
Dash app that allows to pick colors.
cp2k
Quantum chemistry and solid state physics software package
dash-sample-apps
Open-source demos hosted on Dash Gallery
dash_ngl
customized dash NGL viewer
GA
Code for the paper: Augmenting genetic algorithms with deep neural networks for exploring the chemical space
HW_LaTex_thesis_template
Thesis LaTex template base on the submission guidelines of Heriot-Watt University
mofdscribe-1
An ecosystem for digital reticular chemistry
porous-material-AI-gym
open data sets for machine learning pertaining to porous materials
FMcil's Repositories
FMcil/mofdscribe-1
An ecosystem for digital reticular chemistry
FMcil/porous-material-AI-gym
open data sets for machine learning pertaining to porous materials
FMcil/awesome-adsorption
Awesome list of open source tools that can help simulate, treat understand or disseminate adsorption data.
FMcil/ClipDigest
FMcil/colorjeopardy
Dash app that allows to pick colors.
FMcil/cp2k
Quantum chemistry and solid state physics software package
FMcil/dash-sample-apps
Open-source demos hosted on Dash Gallery
FMcil/dash_ngl
customized dash NGL viewer
FMcil/GA
Code for the paper: Augmenting genetic algorithms with deep neural networks for exploring the chemical space
FMcil/HW_LaTex_thesis_template
Thesis LaTex template base on the submission guidelines of Heriot-Watt University
FMcil/Medium-posts
Code from some of the posts I published at https://medium.com/@xoelop
FMcil/MOFTransformer
Universal Transfer Learning in MOF
FMcil/nanopore-adsorption-experiment
Uses the RASPA software package to simulate adsorption isotherms on nanoporous materials.
FMcil/PANACHE
Physics-based neural network framework for adsorption and chromatography emulation
FMcil/project-based-learning
Curated list of project-based tutorials
FMcil/PZ-CESAR1-thermo-model
This is a model developed on Aspen Plus to predict the dissolution thermodynamics of CO2 into piperazine, AMP, and their blend (CESAR1). It is validated to a wide range of temperatures and CO2 pressures.
FMcil/RCCSCompToolkit