tarungog / torsionnet_paper_version
☆14Updated 3 years ago
Related projects ⓘ
Alternatives and complementary repositories for torsionnet_paper_version
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆45Updated 2 years ago
- coming soon☆28Updated last year
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆45Updated 3 years ago
- ☆21Updated last year
- RINGER: Rapid Conformer Generation for Macrocycles with Sequence-Conditioned Internal Coordinate Diffusion☆16Updated 2 months ago
- The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)☆36Updated 2 years ago
- ☆28Updated last year
- Graph-based generative model☆23Updated 5 years ago
- ☆30Updated 9 months ago
- cG-SchNet - a conditional generative neural network for 3d molecular structures☆53Updated last year
- Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design☆8Updated last year
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Updated last year
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆39Updated 4 months ago
- The implementation of Modof for Molecule Optimization☆27Updated last year
- A collection of small scripts and utilities that would otherwise float around in other repositories☆13Updated 2 years ago
- ☆67Updated 2 years ago
- Generative model for molecular distance geometry☆39Updated last year
- ☆25Updated 2 years ago
- ☆48Updated 2 years ago
- Geometric super-resolution for molecular geometries☆37Updated 2 years ago
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆27Updated 2 weeks ago
- ☆51Updated last year
- ☆15Updated last year
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Updated 3 years ago
- ☆10Updated 7 months ago
- (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)☆26Updated last year
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆47Updated this week
- ☆44Updated 4 years ago
- ☆56Updated 7 months ago
- ☆21Updated 2 years ago