Python code accompanying the academic paper on the prediction of the SFT-log(c) profile for surfactants in water
☆14Feb 8, 2022Updated 4 years ago
Alternatives and similar repositories for SFT-logc-Prediction
Users that are interested in SFT-logc-Prediction are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A curated database of surfactants and their experimentally determined physical properties and multi-property graph neural network ensembl…☆22May 20, 2026Updated 5 months ago
- Public code base for the Accelerated Molecular Discovery (AMD) platform☆12Nov 17, 2023Updated 2 years ago
- XGBoost and GNN training and models for prediction of Hansen solubility parameters☆16Jul 4, 2024Updated 2 years ago
- Interpretable machine learning for polymer thermal conductivity (IMLforPTC) prediction via physical feature engineering☆14Oct 15, 2023Updated 3 years ago
- ChemoPy: freely available python package for computational biology and chemoinformatics.☆15May 30, 2021Updated 5 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- pyMBE provides tools to facilitate building up molecules with complex architectures in the Molecular Dynamics software ESPResSo. For an…☆13Oct 29, 2026Updated last week
- Generator of SMILES string from bigSMILES with extension☆35May 15, 2025Updated last year
- The fastai book, published as Jupyter Notebooks☆11Jun 7, 2022Updated 4 years ago
- LVPP sigma-profile database☆77Oct 8, 2026Updated 3 weeks ago
- Automatic Martini force field generator for small organic molecules (up to 25 heavy atoms), Martini 3 compatible☆39Oct 1, 2026Updated last month
- GitHub Repository for "Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor"☆14Jul 25, 2024Updated 2 years ago
- Stanford Appel Lab - Study Pharmacokinetics Project: Pharmacokinetic Data Modeling and Visualization Tool. Primary usage for drug deliver…☆12May 4, 2021Updated 5 years ago
- Patent Crawler is a python program to crawl patent information from Google Patent with given keywords.☆15Aug 31, 2023Updated 3 years ago
- fastsolv python package, website, and paper code☆54Aug 27, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Testing out GCNN for charge prediction☆12Nov 27, 2025Updated 11 months ago
- ☆13Jun 9, 2021Updated 5 years ago
- R package for simulation of caffeine concentration <doi:10.12793/tcp.2017.25.3.141>. https://asancpt.github.io/caffsim☆10Aug 26, 2020Updated 6 years ago
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆49Aug 19, 2024Updated 2 years ago
- Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (…☆10Jun 6, 2023Updated 3 years ago
- Export every Overleaf review comment to Markdown, CSV & JSON in one click. 100% local. The feature Overleaf never shipped.☆23Jun 19, 2026Updated 4 months ago
- ☆18Sep 16, 2024Updated 2 years ago
- ☆23Jul 29, 2026Updated 3 months ago
- A course in chemometric (data) carpentry.☆11Dec 5, 2024Updated last year
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Python library to determine the point group of molecular geometries☆13Aug 23, 2026Updated 2 months ago
- ☆13Dec 3, 2021Updated 4 years ago
- A dissipative particle dynamics (DPD) project.☆13Aug 16, 2023Updated 3 years ago
- Example of using JupyterHub with JupyterLab RTC☆11Dec 17, 2021Updated 4 years ago
- Analysis script for SuMD trajectories☆11Mar 2, 2024Updated 2 years ago
- setting up and analysing PMFs☆12Dec 5, 2022Updated 3 years ago
- Clustering tool for biomolecular structural ensembles and data in general.☆10Aug 24, 2020Updated 6 years ago
- Personal Repository of Data Science Projects☆14May 8, 2019Updated 7 years ago
- Automagically resolve the best structure for molecules across several databases from identifiers☆51Oct 28, 2026Updated last week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Pairwise interaction segment activity coefficients, reference implementation in Python☆20Apr 27, 2024Updated 2 years ago
- Converts clipboard content to smiles and much more☆65Jun 6, 2024Updated 2 years ago
- A Benchmark Implementation of COSMO-SAC☆92Jul 3, 2026Updated 4 months ago
- Source code for "Nucleosome plasticity is a critical element of chromatin liquid–liquid phase separation and multivalent nucleosome inter…☆13Jun 17, 2022Updated 4 years ago
- Map atomistic trajectories to CG Martini level fast and compute interactions☆18Updated this week
- An R data package for NIH EXPORTER data☆15Mar 8, 2025Updated last year
- An R package for working with phenotypic screening data☆10Nov 22, 2018Updated 7 years ago