biomed-AI / DRlinker
☆22Updated 2 years ago
Alternatives and similar repositories for DRlinker:
Users that are interested in DRlinker are comparing it to the libraries listed below
- ☆19Updated last year
- Code for memory-assisted reinforcement learning☆22Updated 4 years ago
- ☆26Updated last year
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆43Updated 3 years ago
- RJT-RL: De novo molecular design using a Reversible Junction Tree and Reinforcement Learning☆23Updated 2 years ago
- Implementation of MolSearch paper☆22Updated last year
- ☆15Updated 2 years ago
- ☆25Updated 5 years ago
- ☆24Updated 2 years ago
- ☆44Updated 4 years ago
- ☆29Updated 10 months ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆27Updated 8 months ago
- Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.☆24Updated 4 months ago
- ☆56Updated 11 months ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆23Updated last year
- ☆20Updated last year
- ☆14Updated last year
- ☆26Updated 10 months ago
- ☆31Updated 10 months ago
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆46Updated 11 months ago
- ☆28Updated 2 years ago
- CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning☆11Updated 6 months ago
- Optimization of binding affinities in chemical space for drug discovery☆36Updated 2 years ago
- ☆23Updated 3 months ago
- ☆56Updated last year
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆37Updated last year
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Updated last year
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆16Updated 11 months ago
- ☆23Updated 7 months ago
- ☆37Updated 4 years ago