PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.
☆45Nov 17, 2025Updated 6 months ago
Alternatives and similar repositories for PolyMetriX
Users that are interested in PolyMetriX are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Unified machine learning model for predicting polymer properties through human language instructions☆32May 6, 2025Updated last year
- POINT2 Database -- POlymer INformatics Training and Testing Database based on PI1M☆30Mar 10, 2026Updated 3 months ago
- ☆25Jan 22, 2025Updated last year
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Jun 17, 2024Updated last year
- Text-based modeling of materials.☆35Mar 12, 2026Updated 3 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- rule-based virtual polymer library generator☆54Dec 23, 2025Updated 5 months ago
- Code for "Inverse Design of Copolymers Including Stoichiometry and Chain Architecture"☆13Nov 19, 2025Updated 6 months ago
- Equivariant network to predict activation barriers and molecular orbitals through coefficients of molecular orbitals.☆13Feb 13, 2024Updated 2 years ago
- ☆12May 13, 2022Updated 4 years ago
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆34Apr 14, 2026Updated 2 months ago
- ☆21Feb 16, 2024Updated 2 years ago
- A Python implementation of the direct MaxFlux method for transition state search☆39Jun 1, 2026Updated last week
- ☆30May 14, 2025Updated last year
- Sequential Learning App for Materials Discovery ("SLAMD") - Web Version☆21Apr 2, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Generator of SMILES string from bigSMILES with extension☆36May 15, 2025Updated last year
- The Block Copolymer Phase Behavior Database (BCDB)☆21Mar 1, 2024Updated 2 years ago
- Large language models to generate stable crystals.☆121Jun 18, 2024Updated last year
- How good are LLMs at chemistry?☆141Jan 26, 2026Updated 4 months ago
- Deep learning for compound price prediction☆19Aug 22, 2024Updated last year
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆56Jun 23, 2025Updated 11 months ago
- CheMixHub: Datasets and Benchmarks for Chemical Mixture Property Prediction☆31Feb 27, 2026Updated 3 months ago
- A Python library for prediction of polymeric material properties.☆24May 6, 2022Updated 4 years ago
- Official repository for the paper "Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing".☆19Dec 4, 2025Updated 6 months 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.
- ☆11Jun 6, 2026Updated last week
- A Python package to compute and analyze transport properties.☆17Jul 27, 2025Updated 10 months ago
- A tutorial on NMFreg applied to cerebellum data.☆12Apr 7, 2020Updated 6 years ago
- For advanced physics-driven combined with neural network enhancement force field.☆19Mar 9, 2026Updated 3 months ago
- Mechanical Turk on your own machine for chemical literature annotation☆13Feb 17, 2022Updated 4 years ago
- Code for DBellQuant☆35Jan 30, 2026Updated 4 months ago
- Foundation Model for Materials - FM4M☆304May 13, 2026Updated last month
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆11Oct 4, 2024Updated last year
- [ACL 2024] <Large Language Models for Automated Open-domain Scientific Hypotheses Discovery>. It has also received the best poster award …☆44Oct 28, 2024Updated last year
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆33Jun 24, 2025Updated 11 months ago
- Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-c…☆82Nov 24, 2025Updated 6 months ago
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 3 years ago
- ☆21Nov 19, 2024Updated last year
- fastsolv python package, website, and paper code☆48Aug 27, 2025Updated 9 months ago
- ☆22Updated this week
- ☆13Apr 15, 2024Updated 2 years ago