mywang1994 / cligen_genLinks
☆15Updated last year
Alternatives and similar repositories for cligen_gen
Users that are interested in cligen_gen are comparing it to the libraries listed below
Sorting:
- ☆13Updated last year
- Augmented Memory and Beam Enumeration implementation☆25Updated last year
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆26Updated last month
- Examples of MolScore implementations☆11Updated last year
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆31Updated 7 months ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Updated last year
- ☆18Updated last year
- AI-augmented R-group exploration in medicinal chemistry☆18Updated last year
- ☆28Updated 2 years ago
- ☆17Updated 3 years ago
- ☆19Updated 7 months ago
- ☆31Updated 4 months ago
- ☆26Updated 11 months ago
- Code Space of SynLlama☆41Updated 3 weeks ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆29Updated 9 months ago
- ☆25Updated 3 years ago
- ☆11Updated 4 years ago
- ☆22Updated 2 years ago
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆37Updated 7 months ago
- A distance distribution-based visualization method for atomic pair energy and precise prediction of absolute binding free energy.☆14Updated 11 months ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated 2 years ago
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆28Updated last year
- ☆26Updated last year
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Updated 2 years ago
- ☆12Updated last year
- ☆26Updated 3 years ago
- This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.☆20Updated last year
- ☆15Updated 2 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 9 months ago
- ☆13Updated 2 years ago