PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.
☆41Nov 17, 2025Updated 5 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☆31May 6, 2025Updated 11 months ago
- POINT2 Database -- POlymer INformatics Training and Testing Database based on PI1M☆27Mar 10, 2026Updated last month
- ☆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 last month
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- rule-based virtual polymer library generator☆51Dec 23, 2025Updated 4 months ago
- Code for "Inverse Design of Copolymers Including Stoichiometry and Chain Architecture"☆13Nov 19, 2025Updated 5 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 3 years ago
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆33Apr 14, 2026Updated 3 weeks ago
- ☆21Feb 16, 2024Updated 2 years ago
- ☆26May 14, 2025Updated 11 months ago
- A Python implementation of the direct MaxFlux method for transition state search☆38Apr 12, 2026Updated 3 weeks ago
- Sequential Learning App for Materials Discovery ("SLAMD") - Web Version☆21Apr 2, 2025Updated last year
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Generator of SMILES string from bigSMILES with extension☆35May 15, 2025Updated 11 months ago
- The Block Copolymer Phase Behavior Database (BCDB)☆20Mar 1, 2024Updated 2 years ago
- Large language models to generate stable crystals.☆118Jun 18, 2024Updated last year
- How good are LLMs at chemistry?☆137Jan 26, 2026Updated 3 months ago
- Deep learning for compound price prediction☆19Aug 22, 2024Updated last year
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆54Jun 23, 2025Updated 10 months ago
- CheMixHub: Datasets and Benchmarks for Chemical Mixture Property Prediction☆29Feb 27, 2026Updated 2 months ago
- A Python library for prediction of polymeric material properties.☆24May 6, 2022Updated 3 years ago
- Official repository for the paper "Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing".☆18Dec 4, 2025Updated 5 months 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.
- ☆11Jun 11, 2025Updated 10 months ago
- A Python package to compute and analyze transport properties.☆17Jul 27, 2025Updated 9 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.☆17Mar 9, 2026Updated last month
- Mechanical Turk on your own machine for chemical literature annotation☆13Feb 17, 2022Updated 4 years ago
- Code for DBellQuant☆34Jan 30, 2026Updated 3 months ago
- Foundation Model for Materials - FM4M☆299Apr 10, 2026Updated 3 weeks ago
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆11Oct 4, 2024Updated last year
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆32Jun 24, 2025Updated 10 months 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.
- Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-c…☆79Nov 24, 2025Updated 5 months ago
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 3 years ago
- ☆19Nov 19, 2024Updated last year
- fastsolv python package, website, and paper code☆46Aug 27, 2025Updated 8 months ago
- ☆21Feb 13, 2026Updated 2 months ago
- ☆13Apr 15, 2024Updated 2 years ago
- Template-directed automatic generation of transition state structures.☆11Nov 22, 2016Updated 9 years ago