solubility

There are 17 repositories under solubility topic.

  • CalebBell/thermo

    Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)

    Language:Python64945122117

  • MobleyLab/drug-computing

    Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.

    Language:Jupyter Notebook14791843
  • TISIGNER-ReactJS

    Gardner-BinfLab/TISIGNER-ReactJS

    TISIGNER: Unleash the power of synthetic biology

    Language:JavaScript19647

  • mcsorkun/AqSolDB

    AqSolDB: A curated aqueous solubility dataset contains 9.982 unique compounds.

    Language:Python16102

  • PsiXYZ/pytherm

    Pytherm: An open-source scientific tool for thermodynamic modeling

    Language:Python15000

  • aretasg/SolPred

    Machine learning model to predict aqueous solubility of organic compounds

    Language:Jupyter Notebook5201

  • BogdanTarus/solubility

    A machine learning pipeline for the prediction of aqueous solubility of small chemical compounds is proposed. Pairs of SMILES chemical structures and experimental values of the solubility are used to learn a model. A Flask application reads the SMILES chemical structure of a new compound and predicts the solubility missing value in logS units.

    Language:Jupyter Notebook5201

  • Gnpd/HSPiPy

    Hansen Solubility Parameters in Python.

    Language:Python5102

  • jurevito/molecule-solubility

    Molecule water solubility prediction using DeepChem.

    Language:Jupyter Notebook4102

  • chicolucio/solutions

    Solubility and concentration database of common chemical substances.

    Language:Jupyter Notebook3252

  • ErinB97/MATLABSolubilityModels

    MEng research project, assessing the performance of various co-solvent solubility models. MATLAB tool to run solubility predictions/import data and perform analysis on results.

    Language:MATLAB2101

  • madvid/PhD_influence_HCN_V_defect_solubility_diffusion_O_in_Ni

    Part of my work realized during the years as a PhD student. I was in the team MEMO of the CIRIMAT lab in Toulouse. I study via a multi-scale approach the influence influence of H, C, N impurities and point defects on the solubility and diffusion of the oxygen in the nickel (fcc phase). My works was under the supervision of Damien Connétable and Daniel Monceau.

    2100

  • edtrawtmam/hsp

    Repositório de desenvolvimento do HSPmol

    Language:Jupyter Notebook0160

  • solarchemist/O2solubilitywater

    Calculate oxygen solubility in water at any temperature between 0°C - 50°C based on published empirical model (Hitchman, Measurement of Dissolved Oxygen, 1978), and tabulated vapour pressures of water.

    Language:R0100

  • stuchalk/UNF_CIS_Solubility

    Curated solubility data from the Spring 2022/2204 CIS Classes

    Language:JavaScript0300

  • zeynepsumer/predicting_pentamer_activity_coefficients

    Models in the paper: https://pubs.acs.org/doi/full/10.1021/acssuschemeng.2c05199

    Language:Python0100

  • NotAMadTheorist/Ternary-Phase-Diagram-Visualization-Water-Acetone-1-Butanol-

    This Python program constructs a ternary phase diagram of the water-acetone-1-butanol system with the help of the "python-ternary" module by Marcharper. Experimentally-obtained volume fractions of each liquid component are provided as the source data. This was created as part of Experiment #5 of CHEM 171.41 LAB (Physical Chemistry 1 LAB).

    Language:Python