huankoh / PSICHICLinks
PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence data
☆104Updated 11 months ago
Alternatives and similar repositories for PSICHIC
Users that are interested in PSICHIC are comparing it to the libraries listed below
Sorting:
- Geometry Deep Learning for Drug Discovery and Life Science☆69Updated last year
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆100Updated last year
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆86Updated last year
- ☆129Updated 7 months ago
- Papers about Structure-based Drug Design (SBDD)☆114Updated 5 months ago
- Diffusion model based protein-ligand flexible docking method☆105Updated 7 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆66Updated last year
- ☆51Updated 9 months ago
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆66Updated last year
- ☆113Updated 9 months ago
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆109Updated 3 months ago
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆31Updated last year
- ☆21Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆53Updated 2 weeks ago
- ☆37Updated last year
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".