A machine-learning implementation that learns generalizable, interpretable models connecting polymer chemistry to membrane gas permeability.
☆40Jun 1, 2025Updated 9 months ago
Alternatives and similar repositories for PolymerGasMembraneML
Users that are interested in PolymerGasMembraneML are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Automated physical feature engineering for polymer informatics (APFEforPI), which has been utilized for the exploitation of high thermal …☆15Jun 28, 2024Updated last year
- Polymer property prediction with GNNs and deep set learning.☆31May 31, 2023Updated 2 years ago
- ☆14Apr 15, 2024Updated last year
- Membrane-based dehumidification is currently being considered as a promising solution for the building application due to its low cost an…☆10Oct 28, 2020Updated 5 years ago
- ☆26Sep 3, 2024Updated last year
- NordVPN Threat Protection Pro™ • AdTake your cybersecurity to the next level. Block phishing, malware, trackers, and ads. Lightweight app that works with all browsers.
- Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch☆86Nov 17, 2023Updated 2 years ago
- Large language models, physics-based modeling, experimental measurements: the trinity of data-scarce learning of polymer properties☆14Sep 4, 2025Updated 6 months ago
- Code for extrapolation in materials property prediction as proposed in "Known Unknowns: Out-of-Distribution Property Prediction in Materi…☆33Jan 16, 2026Updated 2 months ago
- ☆12May 13, 2022Updated 3 years ago
- Code for "Inverse Design of Copolymers Including Stoichiometry and Chain Architecture"☆13Nov 19, 2025Updated 4 months ago
- Unified machine learning model for predicting polymer properties through human language instructions☆28May 6, 2025Updated 10 months ago
- A benchmark dataset for polymer informatics.☆90May 31, 2021Updated 4 years ago
- ☆20Feb 16, 2024Updated 2 years ago
- The repository for the generative pretrained model on polymer generation☆18Sep 26, 2025Updated 6 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Chemistry toolkit for simulating the aqueous speciation of metal-oxo clusters☆12Oct 24, 2025Updated 5 months ago
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆28Apr 1, 2024Updated last year
- ☆22Feb 13, 2025Updated last year
- RadonPy is a Python library to automate physical property calculations for polymer informatics.☆250Feb 2, 2026Updated last month
- Xlink is a Python script that uses Gromacs to automatically perfom simulation crosslinking and generate atomistic model of aromatic polya…☆16Jul 8, 2023Updated 2 years ago
- perl script of Materials Studio☆26Apr 23, 2023Updated 2 years ago
- ☆15Sep 14, 2023Updated 2 years ago
- Python and C++ library to process both experimental and simulation data of colloidal particles.☆15Sep 2, 2021Updated 4 years ago
- Shared repo for trajectory analysis and infrastructure development☆23Feb 21, 2024Updated 2 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Implementation of corrections for diffusion coefficients in membrane simulations.☆10Aug 2, 2022Updated 3 years ago
- ☆10Nov 17, 2020Updated 5 years ago
- Generating meshes for TPMS (triply periodic minimal surface) lattice structures☆14Oct 6, 2023Updated 2 years ago
- [JCheminfo] Ualign: pushing the limit of template-free retrosynthesis prediction with unsupervised SMILES alignment☆17Dec 26, 2024Updated last year
- A Python library for prediction of polymeric material properties.☆23May 6, 2022Updated 3 years ago
- A voxel based python script for elastic homogenization of four triply peridic minimal surface-based structure in Abaqus☆11Jul 16, 2020Updated 5 years ago
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆31Jan 21, 2026Updated 2 months ago
- ☆12Mar 15, 2026Updated last week
- ChemoPy: freely available python package for computational biology and chemoinformatics.☆14May 30, 2021Updated 4 years ago
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- Japanese translation of "Deep learning for molecules and materials book"☆16Oct 11, 2022Updated 3 years ago
- PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.☆47Jul 5, 2024Updated last year
- Python code accompanying the academic paper on the prediction of the SFT-log(c) profile for surfactants in water☆12Feb 8, 2022Updated 4 years ago
- rule-based virtual polymer library generator☆48Dec 23, 2025Updated 3 months ago
- A python package designed to communicate among various chemical and materials calculational tools☆15Dec 8, 2025Updated 3 months ago
- A curated database of surfactants and their experimentally determined physical properties and multi-property graph neural network ensembl…☆17Mar 13, 2026Updated last week
- ☆16Jan 26, 2024Updated 2 years ago