GitHub topics: solubility
CalebBell/thermo
Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
Language: Python - Size: 44.1 MB - Last synced at: about 14 hours ago - Pushed at: about 1 month ago - Stars: 674 - Forks: 120
PsiXYZ/pytherm
Pytherm: An open-source scientific tool for thermodynamic modeling
Language: Python - Size: 460 KB - Last synced at: 7 days ago - Pushed at: 7 days ago - Stars: 18 - Forks: 0
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 Notebook - Size: 576 MB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 151 - Forks: 43
BioE-KimLab/MulticompSol
Prediction of multicomponent solubility for organic molecules (ML-based)
Language: Python - Size: 0 Bytes - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 0 - Forks: 0
Gnpd/HSPiPy
Hansen Solubility Parameters in Python.
Language: Python - Size: 22.5 KB - Last synced at: 12 months ago - Pushed at: about 1 year ago - Stars: 1 - Forks: 1
stuchalk/UNF_CIS_Solubility
Curated solubility data from the Spring 2022/2204 CIS Classes
Language: JavaScript - Size: 39.9 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 0 - Forks: 0
Gardner-BinfLab/TISIGNER-ReactJS
TISIGNER: Unleash the power of synthetic biology
Language: JavaScript - Size: 160 MB - Last synced at: 9 months ago - Pushed at: about 2 years ago - Stars: 18 - Forks: 7
mcsorkun/AqSolDB
AqSolDB: A curated aqueous solubility dataset contains 9.982 unique compounds.
Language: Python - Size: 3.06 MB - Last synced at: over 1 year ago - Pushed at: about 5 years ago - Stars: 7 - Forks: 2
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: MATLAB - Size: 596 KB - Last synced at: over 1 year ago - Pushed at: over 2 years ago - Stars: 2 - Forks: 1
aretasg/SolPred
Machine learning model to predict aqueous solubility of organic compounds
Language: Jupyter Notebook - Size: 9.05 MB - Last synced at: over 1 year ago - Pushed at: almost 4 years ago - Stars: 4 - Forks: 1
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 Notebook - Size: 31.7 MB - Last synced at: almost 2 years ago - Pushed at: over 4 years ago - Stars: 4 - Forks: 1
jurevito/molecule-solubility
Molecule water solubility prediction using DeepChem.
Language: Jupyter Notebook - Size: 73.2 KB - Last synced at: over 1 year ago - Pushed at: over 3 years ago - Stars: 3 - Forks: 2
chicolucio/solutions
Solubility and concentration database of common chemical substances.
Language: Jupyter Notebook - Size: 1.86 MB - Last synced at: 14 days ago - Pushed at: about 5 years ago - Stars: 3 - Forks: 2
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.
Size: 97.1 MB - Last synced at: about 1 year ago - Pushed at: over 3 years ago - Stars: 1 - Forks: 0
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: R - Size: 26.4 KB - Last synced at: 16 days ago - Pushed at: over 3 years ago - Stars: 0 - Forks: 0
edtrawtmam/hsp
Repositório de desenvolvimento do HSPmol
Language: Jupyter Notebook - Size: 20.5 MB - Last synced at: about 2 years ago - Pushed at: over 3 years ago - Stars: 0 - Forks: 0
