PolyMetriX is a comprehensive Python library that powers the entire machine learning workflow for polymer informatics.
☆40Nov 17, 2025Updated 4 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:
- POINT2 Database -- POlymer INformatics Training and Testing Database based on PI1M☆27Mar 10, 2026Updated 2 weeks 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 last week
- rule-based virtual polymer library generator☆48Dec 23, 2025Updated 3 months ago
- Code for "Inverse Design of Copolymers Including Stoichiometry and Chain Architecture"☆13Nov 19, 2025Updated 4 months ago
- Equivariant network to predict activation barriers and molecular orbitals through coefficients of molecular orbitals.☆12Feb 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.☆31Jan 21, 2026Updated 2 months ago
- ☆26May 14, 2025Updated 10 months ago
- ☆20Feb 16, 2024Updated 2 years ago
- A Python implementation of the direct MaxFlux method for transition state search☆38Jan 30, 2026Updated last month
- Sequential Learning App for Materials Discovery ("SLAMD") - Web Version☆21Apr 2, 2025Updated 11 months ago
- Generator of SMILES string from bigSMILES with extension☆34May 15, 2025Updated 10 months ago
- The Block Copolymer Phase Behavior Database (BCDB)☆20Mar 1, 2024Updated 2 years ago
- Large language models to generate stable crystals.☆116Jun 18, 2024Updated last year
- How good are LLMs at chemistry?☆135Jan 26, 2026Updated last month
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆52Jun 23, 2025Updated 9 months ago
- Unified machine learning model for predicting polymer properties through human language instructions☆27May 6, 2025Updated 10 months ago
- Deep learning for compound price prediction☆19Aug 22, 2024Updated last year
- CheMixHub: Datasets and Benchmarks for Chemical Mixture Property Prediction☆27Feb 27, 2026Updated 3 weeks ago
- A Python library for prediction of polymeric material properties.☆23May 6, 2022Updated 3 years ago
- Official repository for the paper "Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing".☆18Dec 4, 2025Updated 3 months ago
- ☆11Jun 11, 2025Updated 9 months ago
- A Python package to compute and analyze transport properties.☆16Jul 27, 2025Updated 7 months ago
- A tutorial on NMFreg applied to cerebellum data.☆12Apr 7, 2020Updated 5 years ago
- For advanced physics-driven combined with neural network enhancement force field.☆17Mar 9, 2026Updated 2 weeks ago
- Mechanical Turk on your own machine for chemical literature annotation☆13Feb 17, 2022Updated 4 years ago
- Code for DBellQuant☆34Jan 30, 2026Updated last month
- Foundation Model for Materials - FM4M☆292Jan 24, 2026Updated 2 months ago
- A Python tool for local chemical space exploration of any structure based on their 3D geometry☆13Oct 4, 2024Updated last year
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆31Jun 24, 2025Updated 9 months ago
- [ACL 2024] <Large Language Models for Automated Open-domain Scientific Hypotheses Discovery>. It has also received the best poster award …☆43Oct 28, 2024Updated last year
- Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-c…☆78Nov 24, 2025Updated 4 months ago
- fastsolv python package, website, and paper code☆40Aug 27, 2025Updated 6 months ago
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 3 years ago
- ☆14Apr 15, 2024Updated last year
- ☆20Feb 13, 2026Updated last month
- Template-directed automatic generation of transition state structures.☆11Nov 22, 2016Updated 9 years ago