giacomo-janson / sam2Links
Deep generative modeling of protein structural ensembles
☆29Updated last month
Alternatives and similar repositories for sam2
Users that are interested in sam2 are comparing it to the libraries listed below
Sorting:
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆59Updated last month
- Precise Generation of Conformational Ensembles for Intrinsically Disordered Proteins with IDPFold☆24Updated last year
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆20Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆35Updated last month
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 8 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆43Updated 5 months ago
- Cryptic pocket prediction using AlphaFold 2☆24Updated 2 years ago
- scripts to find PBD structures for cancer driver proteins☆31Updated last week
- Convert coarse-grained protein structure to all-atom model☆46Updated 5 months ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆59Updated last week
- ☆52Updated 6 months ago
- A benchmark for 3D biomolecular structure prediction models☆67Updated 6 months ago
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆19Updated last year
- ☆25Updated 6 months ago
- Lightweight induced fit docking☆21Updated 2 years ago
- Benchmarking code accompanying the release of `bioemu`☆47Updated 2 weeks ago
- Neural Iterative Selection-Expansion using LASErMPNN and Boltz-2x☆28Updated this week
- ☆32Updated 2 years ago
- ☆53Updated 8 months ago
- Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks☆11Updated 3 years ago
- All-Atom (Including Hydrogen!) Ligand-Conditioned Protein Sequence Design & Sidechain Packing Model☆25Updated last week
- Quick mapping of Uniprot sequences to PDB structures☆35Updated 7 months ago
- ☆69Updated last year
- Conformational sampling for highly flexible proteins☆12Updated 9 months ago
- ☆36Updated 2 years ago
- The Guest HOst Affinity Tool (GHOAT.py) is a fully automated tool for absolute binding free energy calculations on guest-host systems.☆20Updated 6 months ago
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆54Updated 4 months ago
- Modelling protein conformational landscape with Alphafold☆54Updated 2 months ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆19Updated last year
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆66Updated last month