ChenDdon / AGBTcodeLinks
☆28Updated 2 years ago
Alternatives and similar repositories for AGBTcode
Users that are interested in AGBTcode are comparing it to the libraries listed below
Sorting:
- ☆96Updated 6 months ago
- A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry☆32Updated 4 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 4 years ago
- ☆60Updated 3 years ago
- ☆94Updated 3 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 4 years ago
- ☆57Updated 3 years ago
- ☆64Updated 4 years ago
- ☆77Updated 2 years ago
- ☆67Updated 5 years ago
- generative model for drug discovery☆64Updated 2 months ago
- RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative …☆80Updated 2 years ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆51Updated 3 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Updated 4 years ago
- A novel hybrid method for generating molecules with desired property scores.☆42Updated 4 years ago
- MoleculeNet benchmark dataset & MolMapNet dataset☆65Updated 3 years ago
- Code and data for QMO https://arxiv.org/abs/2011.01921☆35Updated 4 years ago
- MCMG_V1☆76Updated 3 years ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- ☆69Updated 3 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆110Updated 2 years ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆48Updated 3 years ago
- Pretrained SMILES transformation model for finetuning for diverse molecular tasks.☆53Updated 3 years ago
- ☆21Updated 3 years ago
- ☆51Updated 5 years ago
- ☆33Updated 3 years ago
- ☆64Updated 2 years ago
- Chemical-Reaction-Aware Molecule Representation Learning☆83Updated 3 years ago
- ☆74Updated last year
- ☆66Updated 6 months ago