ningliu-iga / TrinityLLMLinks
Large language models, physics-based modeling, experimental measurements: the trinity of data-scarce learning of polymer properties
☆13Updated 3 months ago
Alternatives and similar repositories for TrinityLLM
Users that are interested in TrinityLLM are comparing it to the libraries listed below
Sorting:
- Awesome list about AI4Polymer☆15Updated 2 months ago
- Source code for "Improving Chemical Reaction Yield Prediction Using Pre-Trained Graph Neural Networks"☆21Updated last year
- Polymer property prediction with GNNs and deep set learning.☆25Updated 2 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆47Updated 3 years ago
- ☆18Updated last year
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- The repository for the generative pretrained model on polymer generation☆14Updated 2 months ago
- Unified machine learning model for predicting polymer properties through human language instructions☆24Updated 7 months ago
- Source code for Single-step Retrosynthesis Prediction by Leveraging Commonly Preserved Substructures☆14Updated 2 years ago
- This is the code of KA-GNN☆78Updated 2 months ago
- A knowledge graph unifying computational and experimental data for MOFs☆30Updated 3 weeks ago
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆51Updated 5 months ago
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆44Updated 2 years ago
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆21Updated 5 months ago
- Guided Diffusion Model for Molecular Inverse Design☆20Updated 2 years ago
- cG-SchNet - a conditional generative neural network for 3d molecular structures☆63Updated 2 years ago
- ☆37Updated last year
- ☆11Updated last year
- Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"☆27Updated 2 months ago
- ☆42Updated 3 weeks ago
- Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch☆80Updated 2 years ago
- Data and code for graph neural network accelerated molecular dynamics☆42Updated 3 years ago
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆98Updated 6 months ago
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆54Updated last week
- Molecular Hypergraph Neural Network☆43Updated 5 months ago
- polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.☆27Updated 2 weeks ago
- Multi-modal conditioning diffusion model for MOFs generation☆39Updated 3 weeks ago
- [NeurIPS 2023] "Understanding the Limitations of Deep Models for Molecular Property Prediction: Insights and Solutions"☆11Updated last year
- ☆18Updated last year
- Molecular generation using diffusion models and autoregressive transformer models☆16Updated last year