HamidgLUSE's Stars
rdkit/rdkit
The official sources for the RDKit library
lmfit/lmfit-py
Non-Linear Least Squares Minimization, with flexible Parameter settings, based on scipy.optimize, and with many additional classes and methods for curve fitting.
PatWalters/practical_cheminformatics_tutorials
Practical Cheminformatics Tutorials
SMTorg/smt
Surrogate Modeling Toolbox
XiongPengNUS/rsome
Robust Stochastic Optimization Made Easy
BioSTEAMDevelopmentGroup/biosteam
The Biorefinery Simulation and Techno-Economic Analysis Modules; Life Cycle Assessment; Chemical Process Simulation Under Uncertainty
ibpsa/modelica-ibpsa
Modelica library for building and district energy systems developed within IBPSA Project 1
kmansouri/OPERA
Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy assessment for physicochemical properties, environmental fate and toxicological endpoints. ==================>Download the latest compiled version from the "releases" tab and run the executable installer.
NIEHS/OPERA
Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy assessment for physicochemical properties, environmental fate and toxicological endpoints. ==================>Download the latest compiled version from the "releases" tab and run the executable installer.
AleksandarHaber/Model-Predictive-Control-Implementation-in-Python-1
Here, we post the codes that implement the Model Predictive Controller (MPC) for linear systems.
DLR-SR/ThermofluidStream
The DLR Thermofluid Stream Library
watertap-org/watertap
The WaterTAP development repository
ORNL-Modelica/TRANSFORM-Library
A Modelica based library for modeling thermal hydraulic energy systems and other multi-physics systems
amvro23/essentials-ChEng
A repository with examples on essential knowledge of chemical engineering.
MarekMatejak/Chemical
Modelica Library of Chemical and Electrochemical Processes
AI4ChemS/Eunomia
Chemist AI Agent for Developing Materials Datasets with Natural Language Prompts
wwtmodels/Activated-Sludge-Models
CryPTSys/PharmaPy
A numerical platform for the digital design of pharmaceutical processes
wwtmodels/Anaerobic-Digestion-Models
CODES-group/opyrability
Python-based Process Operability Package
kirenz/time-series-analysis
CAChemE/Mathematical-Optimization
Mathematical programming (a.k.a. optimization) examples solved with Pyomo (Python)
jrcramos/Hybrid-modeling-of-bioreactor-with-LSTM
Deep hybrid modeling of bioreactor cell culture data using Long Short-Term Memory (LSTM) networks combined with first principles equations
biosustain/pseudobatch
The Pseudobatch transformation is a method to easy analysis of measurement from a fed-batch fermentation process. After transformation, the data can be analysed as if it was obtained from a batch fermentation process. The Pseudobatch transformation is especially useful for fed-batch processes where samples where drawn from the bioreactor.
JohanLeNepvou/YeastFermentation
Automation and Control of Yeast fermentation, course exercise in Python
eawag-surface-waters-research/ChemEQL
Developing ChemEQL
gashawmg/solubility_web_App_partI
As part of the solubility app development, this notebook was used to select and train machine learning model
omega-icl/pydex
An open-source package for optimal continuous experiment design.
datadrivencontrol/anaerobic-bioreactor
Anaerobic bioreactor
gashawmg/Water-Solubility-Web-App-Part-II