Popular repositories Loading

1. mol-llm-neurips2025 mol-llm-neurips2025 Public

   Python 1

2. mechanism_prediction mechanism_prediction Public

   Forked from jfjoung/mechanism_prediction

   Python

3. ether0 ether0 Public

   Forked from Future-House/ether0

   A scientific reasoning model, dataset, and reward functions for chemistry.

   Python

4. LLaMo LLaMo Public

   Forked from mlvlab/LLaMo

   Official Implementation (Pytorch) of the "LLaMo: Large Language Model-based Molecular Graph Assistant", NeurIPS 2024

   Python

5. PRESTO PRESTO Public

   Forked from IDEA-XL/PRESTO

   PRESTO: Progressive Pretraining Enhances Synthetic Chemistry Outcomes [EMNLP 2024]

   Python

6. Wavefunction-Alignment-Net Wavefunction-Alignment-Net Public

   Forked from liyy2/Wavefunction-Alignment-Net

   [ICLR 2025 Spotlight] Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonian for Scalable Molecular Systems

   Jupyter Notebook