DrugLT / ImDrugLinks
☆38Updated 3 years ago
Alternatives and similar repositories for ImDrug
Users that are interested in ImDrug are comparing it to the libraries listed below
Sorting:
- ☆37Updated 4 years ago
- coming soon☆28Updated 2 years ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆48Updated 3 years ago
- A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry☆32Updated 4 years ago
- Implementation of GEFA: Early Fusion Approach in Drug-Target Affinity Prediction☆22Updated 5 years ago
- MSA-Regularized Protein Sequence Transformer toward Predicting Genome-Wide Chemical-Protein Interactions: Application to GPCRome Deorphan…☆11Updated 3 years ago
- Code for Fold2Seq paper from ICML 2021☆50Updated 3 years ago
- ☆20Updated 4 years ago
- A LLM agent framework for drug discovery☆19Updated 3 months ago
- ☆21Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 3 years ago
- ☆31Updated 3 years ago
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆40Updated 3 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Updated 4 years ago
- MoleculeNet benchmark dataset & MolMapNet dataset☆63Updated 3 years ago
- ☆25Updated 9 months ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 4 years ago
- Toolkit for structure-based deep learning on RNA.☆40Updated last month
- Autoregressive fragment-based diffusion for target-aware ligand design☆31Updated last year
- Molecular Hypergraph Neural Network☆38Updated 3 months ago
- Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'☆29Updated 4 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆32Updated 4 years ago
- InterpretableDTIP☆20Updated 7 years ago
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆43Updated last year
- ☆17Updated 5 years ago
- ☆95Updated 4 months ago
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Updated 2 years ago
- ☆30Updated 2 years ago
- generative model for drug discovery☆64Updated this week