A curated database of surfactants and their experimentally determined physical properties and multi-property graph neural network ensemble for prediction of pCMC, air-water surface tension and more.
☆20May 20, 2026Updated 3 weeks ago
Alternatives and similar repositories for SurfPro
Users that are interested in SurfPro are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python code accompanying the academic paper on the prediction of the SFT-log(c) profile for surfactants in water☆13Feb 8, 2022Updated 4 years ago
- ChemoPy: freely available python package for computational biology and chemoinformatics.☆14May 30, 2021Updated 5 years ago
- ☆13Jun 7, 2024Updated 2 years ago
- Energy-based Graph Convolutional Networks for Scoring Protein Docking Models☆12Aug 31, 2021Updated 4 years ago
- ☆12May 12, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆21Nov 19, 2024Updated last year
- Reservoir Visualization and Analysis☆12Sep 4, 2015Updated 10 years ago
- Automatic Martini force field generator for small organic molecules (up to 25 heavy atoms), Martini 3 compatible☆38Mar 23, 2026Updated 2 months ago
- Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules☆20Jun 9, 2024Updated 2 years ago
- CheMixHub: Datasets and Benchmarks for Chemical Mixture Property Prediction☆31Feb 27, 2026Updated 3 months ago
- Multiphase flow codes developed in various stages at UC Irvine and UDel (includes DNS, LBM and LES solvers)☆12Feb 11, 2019Updated 7 years ago
- ☆25Jan 22, 2025Updated last year
- Lattice Boltzmann method☆11Nov 19, 2019Updated 6 years ago
- A multiphase lattice Boltzmann code☆11Dec 22, 2016Updated 9 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Gibbs-Helmholtz Graph Neural Network☆21Aug 31, 2023Updated 2 years ago
- A Lattice Boltzmann Mehtod for incompressible flows in porous media☆11Nov 7, 2017Updated 8 years ago
- The Block Copolymer Phase Behavior Database (BCDB)☆21Mar 1, 2024Updated 2 years ago
- SECS is a machine learning framework designed for structure elucidation from spectra such as NMR and IR.☆29Mar 19, 2026Updated 2 months ago
- ☆25May 29, 2025Updated last year
- LBM code for simulating gas flow in porous media☆14Nov 8, 2022Updated 3 years ago
- ☆30May 14, 2025Updated last year
- Modeling of droplet dynamics using multi-phase lattice Boltzmann method☆19Mar 5, 2023Updated 3 years ago
- A Lattice-Boltzmann Method (LBM) based Python code for solving 2D lid driven cavity flow☆18May 14, 2023Updated 3 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆18Jan 29, 2024Updated 2 years ago
- PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.☆45Nov 17, 2025Updated 6 months ago
- Text similarity using BERT sentence embeddings☆20Mar 24, 2020Updated 6 years ago
- Reservoir simulation in Python using the JutulDarcy.jl reservoir simulator☆30Feb 9, 2026Updated 4 months ago
- C++/CUDA version of the MF-LBM solver☆19Apr 12, 2023Updated 3 years ago
- A 4-hour long tutorial session for learning to use LLMs and align them with custom data. We will also train a custom LLM.☆17Sep 12, 2024Updated last year
- Workshop tutorials for Pyomo.DoE☆14May 26, 2026Updated 2 weeks ago
- Graph Learning over Macromolecule Representations☆24Dec 31, 2022Updated 3 years ago
- Parser and Writer of the reservoir fortran ouput data format. That means files with extensions such as .EGRID, .INIT, .SMRY, .UNSMRY, .GR…☆18Jun 3, 2026Updated last week
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A code for simulating fluid dynamics using the Lattice-Boltzmann method.☆25Jun 20, 2013Updated 12 years ago
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 2 years ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 2 years ago
- Text-based modeling of materials.☆35Mar 12, 2026Updated 3 months ago
- Mirror of the NIST ISODB API (https://adsorption.nist.gov/isodb)☆17Feb 27, 2026Updated 3 months ago
- These python codes can be used to simulate multiphase flows with Lattice Boltzmann Method (LBM).☆18Aug 1, 2020Updated 5 years ago
- Reservoir Simulation environment for Reinforcement Learning. Eclipse Integration for Gym toolkit.☆21Dec 8, 2022Updated 3 years ago