ChangwenXu98 / TransPolymerLinks
Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch
☆79Updated 2 years ago
Alternatives and similar repositories for TransPolymer
Users that are interested in TransPolymer are comparing it to the libraries listed below
Sorting:
- An object-aware diffusion model for generating chemical reactions☆140Updated last year
- Universal Transfer Learning in Porous Materials, including MOFs.☆114Updated last year
- A benchmark dataset for polymer informatics.☆79Updated 4 years ago
- Molecular graph deep sets learning for mixture property modeling.☆25Updated 9 months ago
- Polymer property prediction with GNNs and deep set learning.☆24Updated 2 years ago
- G-SchNet extension for SchNetPack☆63Updated last week
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆56Updated 2 years ago
- A repository for implementing graph network models based on atomic structures.☆95Updated last year
- [TMLR 2023] Training and simulating MD with ML force fields☆114Updated last year
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆99Updated last year
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆30Updated last year
- EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.☆83Updated 2 months ago
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆27Updated 3 weeks ago
- Multi-modal conditioning diffusion model for MOFs generation☆38Updated this week
- A Large Language Model of the CIF format for Crystal Structure Generation☆136Updated last month
- Official implementation of DeepDFT model☆85Updated 2 years ago
- A graph neural network for the prediction of bond dissociation energies for molecules of any charge.☆64Updated 2 months ago
- Message Passing Neural Networks for Molecule Property Prediction☆47Updated 3 years ago
- A system for rapid identification and analysis of metal-organic frameworks☆63Updated 11 months ago
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆55Updated last month
- rule-based virtual polymer library generator☆47Updated 2 months ago
- Example scripts using the CSD Python API☆83Updated last week
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆51Updated 5 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆126Updated last month
- Multimodal Transformer for Predicting Global Minimum Adsorption Energy☆24Updated 7 months ago
- Deep learning model for predicting adsorption isotherms of MOFs☆15Updated 3 years ago
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆60Updated last year
- FTCP code☆35Updated 2 years ago
- AI for crystal materials☆92Updated this week
- A unified framework for machine learning collective variables for enhanced sampling simulations☆126Updated 3 weeks ago