receptor-ai / 3d-prot-dtaLinks
3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs
☆23Updated 2 years ago
Alternatives and similar repositories for 3d-prot-dta
Users that are interested in 3d-prot-dta are comparing it to the libraries listed below
Sorting:
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆102Updated last year
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆204Updated last month
- ☆104Updated 2 years ago
- ☆105Updated 3 weeks ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆94Updated 4 months ago
- Ligand Binding Site detection using Deep Learning☆106Updated 3 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…☆70Updated 2 years ago
- ☆122Updated last year
- Token-Mol 1.0:tokenized drug design with large language model☆44Updated 2 months ago
- ☆10Updated last year
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆139Updated this week
- ☆18Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆63Updated 2 months ago
- ☆67Updated last year
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆61Updated last month
- Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Co…☆180Updated 3 years ago
- 3D_Molecular_Generation☆98Updated 8 months ago
- ☆35Updated last month
- Diffusion model based protein-ligand flexible docking method☆108Updated 9 months ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆55Updated 3 weeks ago
- De novo drug design with deep interactome learning☆36Updated 2 months ago
- ☆33Updated last year
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆109Updated last year
- ☆76Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆45Updated 2 years ago
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆78Updated 4 months ago
- PandaDock: A Physics-Based Molecular Docking using Python☆72Updated 2 weeks ago
- ☆130Updated last month
- An awesome & curated list of docking papers☆113Updated 5 months ago
- Open source code for TankBind. Galixir Tenchnologies☆161Updated last year