liugangcode / infoalign-packageLinks
Python package for InfoAlign
☆12Updated 8 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 8 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆34Updated 2 weeks ago
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆19Updated 9 months ago
- ☆14Updated 8 months ago
- Code Space of SynLlama☆19Updated 2 weeks ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆23Updated 6 months ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆12Updated last year
- Fragment-based Molecular Expansion☆20Updated last year
- ML-guided visual inspection for molecular docking☆16Updated 3 weeks ago
- ☆48Updated last month
- ☆23Updated 10 months ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆13Updated last year
- Quick mapping of Uniprot sequences to PDB structures☆31Updated 2 months ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆24Updated last week
- ☆21Updated 4 months ago
- Code for ApoDock☆20Updated 2 months ago
- ☆34Updated last year
- ☆12Updated 11 months ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- ☆36Updated 3 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 4 months ago
- ☆18Updated 8 months ago
- Code for peptide ligand design with machine learning models.☆24Updated 6 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated last month
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆59Updated 2 months ago
- De novo drug design with deep interactome learning☆19Updated 2 weeks ago
- ☆17Updated 2 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆25Updated 3 months ago
- POLYGON VAE For de novo Polypharmacology☆36Updated 3 months ago
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆27Updated 6 months ago