A machine-learning implementation that learns generalizable, interpretable models connecting polymer chemistry to membrane gas permeability.
☆43Jun 1, 2025Updated last year
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:
- 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
- ☆13Apr 15, 2024Updated 2 years ago
- The repository for the generative pretrained model on polymer generation☆22Mar 20, 2026Updated 5 months ago
- Large language models, physics-based modeling, experimental measurements: the trinity of data-scarce learning of polymer properties☆14Sep 4, 2025Updated last year
- ☆25Sep 3, 2024Updated 2 years ago
- 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.
- Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch☆96Nov 17, 2023Updated 2 years ago
- ☆13May 13, 2022Updated 4 years ago
- Reinforcement Learning-Guided Polymer Gen- eration for Multi-Objective Gas Membrane Discovery☆16Jun 5, 2026Updated 2 months ago
- Code for "Inverse Design of Copolymers Including Stoichiometry and Chain Architecture"☆13Nov 19, 2025Updated 9 months ago
- Polymer property prediction with GNNs and deep set learning.☆34May 31, 2023Updated 3 years ago
- A benchmark dataset for polymer informatics.☆103May 31, 2021Updated 5 years ago
- Unified machine learning model for predicting polymer properties through human language instructions☆35May 6, 2025Updated last year
- Xlink is a Python script that uses Gromacs to automatically perfom simulation crosslinking and generate atomistic model of aromatic polya…☆17Jul 8, 2023Updated 3 years ago
- ☆22Feb 16, 2024Updated 2 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.
- perl script of Materials Studio☆33Apr 23, 2023Updated 3 years ago
- ☆15Jul 22, 2026Updated last month
- Code for extrapolation in materials property prediction as proposed in "Known Unknowns: Out-of-Distribution Property Prediction in Materi…☆34Jan 16, 2026Updated 7 months ago
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆27Apr 1, 2024Updated 2 years ago
- these file are relevant to the published article "Designing AI-aided analysis and prediction models for nonprecious metal electrocatalyst…☆10Jul 14, 2020Updated 6 years ago
- Automated physical feature engineering for polymer informatics (APFEforPI), which has been utilized for the exploitation of high thermal …☆15Jun 28, 2024Updated 2 years ago
- Python and C++ library to process both experimental and simulation data of colloidal particles.☆15Sep 2, 2021Updated 5 years ago
- Shared repo for trajectory analysis and infrastructure development☆24Feb 21, 2024Updated 2 years ago
- ☆10Nov 17, 2020Updated 5 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- A voxel based python script for elastic homogenization of four triply peridic minimal surface-based structure in Abaqus☆13Jul 16, 2020Updated 6 years ago
- [JCheminfo] Ualign: pushing the limit of template-free retrosynthesis prediction with unsupervised SMILES alignment☆19May 10, 2026Updated 3 months ago
- Generating meshes for TPMS (triply periodic minimal surface) lattice structures☆13Oct 6, 2023Updated 2 years ago
- Implementation of corrections for diffusion coefficients in membrane simulations.☆10Aug 2, 2022Updated 4 years ago
- ChemoPy: freely available python package for computational biology and chemoinformatics.☆15May 30, 2021Updated 5 years ago
- PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.☆51Jul 5, 2024Updated 2 years ago
- ☆12May 24, 2026Updated 3 months ago
- 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
- RadonPy is a Python library to automate physical property calculations for polymer informatics.☆277Aug 7, 2026Updated 3 weeks ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆17Jan 26, 2024Updated 2 years ago
- Graph Learning over Macromolecule Representations☆26Dec 31, 2022Updated 3 years ago
- ☆37Jul 18, 2025Updated last year
- Autonomous generator of novel organic compounds from target physicochemical properties. It accelerates innovations in novel materials and…☆19Dec 27, 2017Updated 8 years ago
- Machine learning force field method on transition state searching in Catalyst☆15Sep 5, 2025Updated 11 months ago
- Similarity Encoder (SimEc) Neural Network Framework for learning low dimensional similarity preserving representations☆17Jun 28, 2020Updated 6 years ago
- 中国科学院大学2020届研一课程资料分享☆22Jan 27, 2021Updated 5 years ago