MobleyLab / DEL_analysisLinks
Code to analyze the data from DNA-encoded libraries (DELs)
☆11Updated 2 years ago
Alternatives and similar repositories for DEL_analysis
Users that are interested in DEL_analysis are comparing it to the libraries listed below
Sorting:
- Open-source tool for synthons-based library design.☆82Updated 9 months ago
- ☆89Updated last year
- ☆30Updated last year
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆33Updated 4 years ago
- ☆65Updated 4 years ago
- Kinase-focused fragment library☆66Updated 2 weeks ago
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆41Updated last year
- ☆59Updated 7 months ago
- Conformer multi-instance machine Learning☆59Updated last month
- ☆58Updated 2 years ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆28Updated 4 months ago
- ☆31Updated 3 years ago
- Materials from the 2023 RDKit UGM☆34Updated last year
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆63Updated last month
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆78Updated 3 months ago
- An open library to work with pharmacophores.☆46Updated 2 years ago
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆94Updated this week
- ☆55Updated last month
- rdkit scripts making life easier☆75Updated this week
- ☆28Updated 2 years ago
- ☆95Updated last year
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆52Updated 7 months ago
- ☆76Updated 2 years ago
- AI-powered Virtual Screening☆85Updated 2 years ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆67Updated 10 months ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆56Updated 5 months ago
- Thompson Sampling☆76Updated 5 months ago
- Adds or removes hydrogen atoms to achieve the appropriate molecular protonation state for a user-specified pH range☆48Updated 2 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆81Updated last month