Topic: "solubility-prediction"
rnepal2/Solubility-Prediction-with-Graph-Neural-Networks
GNN, GCN, Molecular Solubility, RDKit, Cheminformatics
Language: Jupyter Notebook - Size: 2.25 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 43 - Forks: 14
JacksonBurns/fastsolv
fastsolv python package, website, and paper code
Language: Jupyter Notebook - Size: 32.4 MB - Last synced at: 11 days ago - Pushed at: 11 days ago - Stars: 31 - Forks: 4
ProteinQure/cbh21-protein-solubility-challenge
Template with code & dataset for the "Structural basis for solubility in protein expression systems" challenge at the Copenhagen Bioinformatics Hackathon 2021.
Language: Python - Size: 83.3 MB - Last synced at: 10 days ago - Pushed at: over 4 years ago - Stars: 22 - Forks: 23
tyang816/ProtSolM
📈 Fusion of sequence, structure and feature information to improve protein solubility prediction (IEEE BIBM 2024).
Language: Python - Size: 48.7 MB - Last synced at: 4 months ago - Pushed at: 4 months ago - Stars: 12 - Forks: 0
mcsorkun/AqSolPred-web
Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).
Language: Python - Size: 8.57 MB - Last synced at: 10 months ago - Pushed at: 10 months ago - Stars: 10 - Forks: 5
Gnpd/HSPiPy
Hansen Solubility Parameters in Python.
Language: Python - Size: 306 KB - Last synced at: 16 days ago - Pushed at: 16 days ago - Stars: 8 - Forks: 2
ivanantolo/cosmopharm
A comprehensive toolkit for predicting drug-polymer and drug-solvent system behavior using the COSMO-SAC model, aimed at enhancing the development of pharmaceutical amorphous solid dispersions and miscibility studies.
Language: Python - Size: 2.56 MB - Last synced at: 3 days ago - Pushed at: 2 months ago - Stars: 2 - Forks: 0
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: almost 2 years ago - Pushed at: over 2 years ago - Stars: 2 - Forks: 1
iansharff/solubility_regression
Modeling solubility of organic molecules with multivariate linear regression and machine learning
Language: Jupyter Notebook - Size: 2.52 MB - Last synced at: over 2 years ago - Pushed at: almost 4 years ago - Stars: 2 - Forks: 2
jcorreia11/streamlit-solubility
Molecular Solubility Prediction Web App
Language: Jupyter Notebook - Size: 762 KB - Last synced at: 7 months ago - Pushed at: 7 months ago - Stars: 1 - Forks: 0
sphamtambo/dnn-drug-discovery
Classification of HER2(human epidermal growth factor receptor 2) molecules using deep neural network.
Language: Jupyter Notebook - Size: 83 KB - Last synced at: about 2 years ago - Pushed at: over 2 years ago - Stars: 1 - Forks: 0
Mehran811/RDKit_RF
Solubility Prediction from SMILE by Random Forest Algorithm Using RDKit 2D and 3D Descriptors
Language: Jupyter Notebook - Size: 992 KB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 0 - Forks: 0
