liugangcode / infoalign-packageLinks
Python package for InfoAlign
☆12Updated 9 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:
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆35Updated last month
- Official Implementation of CompassDock☆20Updated 9 months ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆23Updated last month
- Code Space of SynLlama☆21Updated last month
- ☆36Updated 4 months ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year
- ☆36Updated last year
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆19Updated 10 months ago
- ☆50Updated 2 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆26Updated 4 months ago
- ☆27Updated 2 years ago
- Fragment-based Molecular Expansion☆20Updated last year
- Official implementation of SketchMol.☆25Updated 5 months ago
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆29Updated 8 months ago
- ☆24Updated 11 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 5 months ago
- Recursion's molecular foundation model☆55Updated 2 months ago
- In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them☆32Updated 5 months ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- Quick mapping of Uniprot sequences to PDB structures☆32Updated 4 months ago
- De novo drug design with deep interactome learning☆19Updated last month
- ☆45Updated 3 weeks ago
- ☆20Updated 2 years ago
- ☆16Updated 9 months ago
- ☆33Updated last year
- few-shot compound activity regression☆13Updated 11 months ago
- Fully automated high-throughput MD pipeline☆63Updated last month
- Interface-aware molecular generative framework for protein-protein interaction modulators☆15Updated 7 months ago
- ☆37Updated 2 years ago
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 4 months ago