Fenglei104 / DiffPROTACsLinks
☆18Updated last year
Alternatives and similar repositories for DiffPROTACs
Users that are interested in DiffPROTACs are comparing it to the libraries listed below
Sorting:
- A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation data☆14Updated 2 years ago
- ☆11Updated last year
- ☆16Updated 11 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 11 months ago
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆17Updated 2 years ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆28Updated 6 months ago
- ☆12Updated last year
- few-shot compound activity regression☆13Updated last year
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- ☆17Updated 4 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆40Updated 3 months ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year
- Code used in paper for G-loop mining.☆18Updated 7 months ago
- ☆40Updated 6 months ago
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…☆16Updated last year
- ☆19Updated 3 years ago
- ☆51Updated 4 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 7 months ago
- ☆25Updated last year
- Interface-aware molecular generative framework for protein-protein interaction modulators☆16Updated 9 months ago
- ☆26Updated 2 years ago
- ☆27Updated 2 years ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆20Updated last year
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Updated last year
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆27Updated 6 months ago
- Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility☆32Updated last year
- ☆28Updated 2 years ago
- ☆12Updated 2 years ago
- Code used to mine surfaces.☆22Updated 7 months ago
- ☆17Updated 2 years ago