Colin-Jay / NMRNetLinks
☆41Updated 3 weeks ago
Alternatives and similar repositories for NMRNet
Users that are interested in NMRNet are comparing it to the libraries listed below
Sorting:
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆45Updated 2 months ago
- ☆18Updated last year
- Polymer property prediction with GNNs and deep set learning.☆23Updated 2 years ago
- Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"☆20Updated 4 months ago
- Multi-modal conditioning diffusion model for MOFs generation☆34Updated last month
- ☆13Updated 11 months ago
- Prediction molecular structure from NMR spectra☆34Updated last year
- AI for crystal materials☆81Updated this week
- ☆39Updated last month
- Message Passing Neural Networks for Molecule Property Prediction☆47Updated 2 years ago
- Diffusion model for transition state prediction☆41Updated last year
- Uncertainty-aware prediction of chemical reaction yields with graph neural networks☆24Updated 10 months ago
- cG-SchNet - a conditional generative neural network for 3d molecular structures☆62Updated 2 years ago
- Obtain and organize all feasible fragmentation of molecular methods☆33Updated 2 years ago
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆44Updated this week
- ☆15Updated 8 months ago
- ☆28Updated last year
- [NeurIPS 2023] "Understanding the Limitations of Deep Models for Molecular Property Prediction: Insights and Solutions"☆11Updated last year
- [COLING 2025]A curated paper list about LLMs for chemistry☆94Updated 2 weeks ago
- A Graph Neural Network for molecular property prediction with four levels of Interpretability.☆22Updated last month
- Transformer in Chemical Language Model sometimes misunderstands chirality☆12Updated last year
- This is the code of KA-GNN☆57Updated 3 weeks ago
- This repo contains ReactionDataExtractor v.2 - software toolkit for extraction of information from chemical reaction schemes☆29Updated last year
- A Benchmarking Platform for Realistic And Practical Inverse Molecular Design☆77Updated 4 months ago
- Unified machine learning model for predicting polymer properties through human language instructions☆19Updated 4 months ago
- Mol-Opt: a toolbox for molecular design☆23Updated last year
- ☆18Updated last year
- Deep learning for molecules quantum chemistry properties prediction☆39Updated 4 years ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆124Updated last year
- byteff source code☆74Updated 6 months ago