liugangcode / infoalign-packageLinks
Python package for InfoAlign
☆12Updated 10 months ago
Alternatives and similar repositories for infoalign-package
Users that are interested in infoalign-package are comparing it to the libraries listed below
Sorting:
- Official Implementation of CompassDock☆20Updated 10 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆38Updated 2 months ago
- Code Space of SynLlama☆22Updated 2 months ago
- ☆25Updated last year
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆19Updated 11 months ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆24Updated 2 months ago
- ☆37Updated 5 months ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆13Updated last year
- In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them☆32Updated 6 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆27Updated 5 months ago
- ☆37Updated last year
- ☆16Updated 10 months ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year
- ☆50Updated 3 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 6 months ago
- Official implementation of SketchMol.☆26Updated 6 months ago
- ☆22Updated 6 months ago
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 5 months ago
- De novo drug design with deep interactome learning☆19Updated 2 months ago
- ML-guided visual inspection for molecular docking☆18Updated 2 months ago
- ☆19Updated 10 months ago
- ☆47Updated last month
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆27Updated last week
- Interface-aware molecular generative framework for protein-protein interaction modulators☆15Updated 8 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 10 months ago
- ☆28Updated 2 years ago
- ☆20Updated 2 years ago
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆29Updated 8 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 3 months ago
- Fully automated docking pipeline (can be run in distributed environments)☆47Updated this week