Genentech / ringerLinks
RINGER: Rapid Conformer Generation for Macrocycles with Sequence-Conditioned Internal Coordinate Diffusion
☆19Updated 9 months ago
Alternatives and similar repositories for ringer
Users that are interested in ringer are comparing it to the libraries listed below
Sorting:
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆66Updated last month
- The official repository of Uni-pKa☆60Updated 2 months ago
- CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning☆13Updated 9 months ago
- ☆24Updated 2 years ago
- ☆56Updated 2 years ago
- ☆29Updated last year
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆31Updated last year
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆45Updated 3 weeks ago
- ☆45Updated 3 weeks ago
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆18Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆47Updated 3 weeks ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆64Updated 5 months ago
- ☆68Updated 11 months ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆41Updated 2 weeks ago
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆55Updated 2 years ago
- Molecular Dynamics on Google Compute Engine, Colab, AWS (Amazon Web Services) and other Cloud Computing services☆17Updated 6 months ago
- The public versio☆54Updated last year
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆22Updated this week
- ☆56Updated last year
- ☆43Updated 3 years ago
- Updated version of Silicos-it's shape-based alignment tool☆41Updated last year
- Python 3 fork for the preparation scripts contained in AutoDockTools☆20Updated 3 years ago
- ☆72Updated 2 years ago
- ☆20Updated 2 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 7 months ago
- Tool to predict water molecules placement and energy in ligand binding sites☆28Updated this week
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆42Updated 11 months ago
- RF-Score-VS binary☆31Updated 6 years ago
- ☆41Updated last year
- Fully automated high-throughput MD pipeline☆60Updated 3 weeks ago