wklix / TransLNPLinks
☆10Updated last year
Alternatives and similar repositories for TransLNP
Users that are interested in TransLNP are comparing it to the libraries listed below
Sorting:
- ☆12Updated 10 months ago
- ☆15Updated last year
- Structure-based drug design based on Retrieval Augmented Generation☆24Updated 3 months ago
- EC-Conf: An Ultra-fast Diffusion Model for Molecular conformation Generation with Equivariant Consistency☆12Updated last year
- Autoregressive fragment-based diffusion for target-aware ligand design☆32Updated last year
- The code for NeurIPS 2023 paper DSR☆14Updated 2 years ago
- Synthetic Accessibility via Fragment Assembly Generation☆17Updated last week
- ☆25Updated 2 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆32Updated 4 years ago
- ☆13Updated last year
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆35Updated 3 years ago
- NeuralMD for Protein-ligand Binding Simulation, Nature Communicaitons 2025 https://www.nature.com/articles/s41467-025-67808-z☆38Updated 3 months ago
- ☆20Updated 6 months ago
- ☆37Updated last year
- ☆15Updated 6 months ago
- ☆13Updated last year
- Code fo ICLR2025 paper "A Simple yet Effective DDG Predictor is An Unsupervised Antibody Optimizer and Explainer"☆21Updated 6 months ago
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆31Updated 2 years ago
- ☆34Updated last year
- Transformer-based molecular generative model for antiviral drug design☆16Updated last year
- ☆31Updated 3 years ago
- Code for the combinatorial synthesis library variational auto-encoder (CSLVAE) as described in the paper, "An efficient graph generative …☆14Updated 2 years ago
- Code for training a language model reaction predictor. (To accompany our paper on the OOD evaluation of reaction predictors).☆12Updated last year
- Implementation of MolSearch paper☆23Updated 2 years ago
- ☆20Updated last year
- ☆12Updated 7 months ago
- ☆31Updated 5 months ago
- A simple and effective Contrastive Graph-Image Pre-training framework for molecular representation learning (BIB 2023)☆11Updated last year
- ☆23Updated 3 weeks ago
- ☆18Updated 2 years ago