drorlab / FRAMELinks
Fragment-based Molecular Expansion
☆25Updated last year
Alternatives and similar repositories for FRAME
Users that are interested in FRAME are comparing it to the libraries listed below
Sorting:
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆45Updated 6 months ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆35Updated last month
- ☆32Updated 2 years ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆18Updated 11 months ago
- A benchmark for 3D biomolecular structure prediction models☆67Updated 7 months ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated 2 years ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆83Updated last week
- ☆41Updated last year
- ☆33Updated last year
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆43Updated 2 weeks ago
- ☆54Updated 8 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆28Updated 8 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆49Updated 2 months ago
- ☆41Updated 8 months ago
- ☆22Updated 2 years ago
- ☆28Updated 2 years ago
- ☆52Updated 7 months ago
- Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility☆34Updated last year
- POLYGON VAE For de novo Polypharmacology☆41Updated 9 months ago
- ☆40Updated 5 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆67Updated last year
- ☆24Updated last week
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated 2 years ago
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆72Updated 2 weeks ago
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆17Updated last year
- Official repository for the paper "Peptide design through binding interface mimicry with PepMimic" accepted by Nature Biomedical Engineer…☆20Updated last month
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆22Updated last year
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago