Genentech / ringerLinks
RINGER: Rapid Conformer Generation for Macrocycles with Sequence-Conditioned Internal Coordinate Diffusion
☆20Updated 11 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…☆72Updated last week
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆47Updated last year
- ☆29Updated 2 years ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆49Updated last week
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆26Updated last month
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆47Updated 5 months ago
- The official repository of Uni-pKa☆63Updated 3 months ago
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆32Updated last year
- Fast and accurate molecular docking with an AI pose scoring function☆40Updated last year
- pythonic interface to virtual screening software☆88Updated 2 years ago
- ☆23Updated last year
- ☆25Updated 2 years ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆43Updated 3 weeks ago
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆55Updated 2 years ago
- ☆74Updated 2 years ago
- ☆48Updated 2 months ago
- ☆68Updated last year
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆66Updated 4 months ago
- Python 3 fork for the preparation scripts contained in AutoDockTools☆20Updated 3 years ago
- protein conformational spaces meet machine learning☆46Updated 3 weeks ago
- ☆32Updated 2 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year
- ☆56Updated 2 years ago
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆33Updated 9 months ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆65Updated 7 months ago
- ☆40Updated 3 months ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆44Updated 3 years ago
- ☆44Updated 3 years ago
- ☆56Updated last year
- Integrated physics-based and ligand-based modeling.☆62Updated 3 years ago