biomed-AI / DiffleopLinks
☆10Updated 10 months ago
Alternatives and similar repositories for Diffleop
Users that are interested in Diffleop are comparing it to the libraries listed below
Sorting:
- ☆144Updated 4 months ago
- 3D_Molecular_Generation☆103Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆99Updated 2 weeks ago
- ☆16Updated last year
- ☆129Updated last year
- ☆21Updated last year
- ☆14Updated 11 months ago
- ☆39Updated last year
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆70Updated last year
- ☆70Updated 2 years ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆122Updated last week
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆64Updated last year
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆77Updated 2 years ago
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆200Updated 10 months ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated last year
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- ☆163Updated 2 years ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆119Updated 3 weeks ago
- ☆110Updated 2 years ago
- Papers about Structure-based Drug Design (SBDD)☆136Updated 3 months ago
- ☆33Updated 9 months ago
- ☆49Updated 2 years ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆83Updated 5 months ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆275Updated last year
- AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism☆15Updated 3 years ago
- ☆56Updated last month
- Token-Mol 1.0:tokenized drug design with large language model☆57Updated last week
- ☆172Updated 3 years ago
- ☆57Updated 5 months ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆65Updated 5 months ago