polizzilab / LASErMPNNLinks
All-Atom (Including Hydrogen!) Ligand-Conditioned Protein Sequence Design & Sidechain Packing Model
☆18Updated 3 weeks ago
Alternatives and similar repositories for LASErMPNN
Users that are interested in LASErMPNN are comparing it to the libraries listed below
Sorting:
- Lightweight induced fit docking☆21Updated 2 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 5 months ago
- Neural Iterative Selection-Expansion using LASErMPNN and Boltz-2x☆22Updated last month
- Modelling protein conformational landscape with Alphafold☆51Updated last month
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆15Updated last year
- ☆52Updated last month
- ☆45Updated 5 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆86Updated 3 weeks ago
- ☆42Updated last year
- ☆33Updated 2 years ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 10 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆37Updated 2 months ago
- ☆19Updated 7 months ago
- ☆29Updated last year
- ☆28Updated last year
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆24Updated 2 months ago
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆19Updated 11 months ago
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆25Updated 3 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆70Updated 3 weeks ago
- GRACE: Generative Renaissance in Artificial Computational Enzyme Design☆18Updated 7 months ago
- ☆12Updated 2 years ago
- ☆50Updated 3 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 6 months ago
- ☆50Updated last month
- ☆23Updated 3 months ago
- Cryptic pocket prediction using AlphaFold 2☆24Updated 2 years ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆52Updated 3 months ago
- ☆37Updated 2 weeks ago
- Utility for building inverse rotamer assemblies out of a Rosetta matcher/enzdes constraint file.☆23Updated 5 months ago