drorlab / GLOW_IVESLinks
☆15Updated last year
Alternatives and similar repositories for GLOW_IVES
Users that are interested in GLOW_IVES are comparing it to the libraries listed below
Sorting:
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆24Updated 2 months ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Updated 2 years ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆25Updated 2 years ago
- Code Space of SynLlama☆38Updated 2 weeks ago
- Use AutoDock for Ligand-based Virtual Screening☆22Updated last year
- ☆24Updated last year
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆20Updated last year
- Scaffold decoration and fragment linking with chemical language models and RL☆26Updated 8 months ago
- ☆38Updated last year
- Generate customized voxel representations of protein-ligand complexes using GPU.☆11Updated 2 months ago
- GNEprop is a graph neural network-based model to predict antibacterial activity from molecular structures in virtual screening settings.☆27Updated last month
- Data set of protein-ligand complexes with reliable experimental structures and affinities☆44Updated last month
- ☆12Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 6 months ago
- ☆31Updated 3 months ago
- ☆25Updated 9 months ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Updated last year
- ☆52Updated 6 months ago
- ML-guided visual inspection for molecular docking☆20Updated 5 months ago
- Contributed and additional nodes for maize☆18Updated 3 weeks ago
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆28Updated last year
- Structure-based drug design based on Retrieval Augmented Generation☆22Updated 3 weeks ago
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆18Updated 5 months ago
- ☆39Updated 5 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆35Updated last month
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆28Updated 8 months ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆28Updated 2 months ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆19Updated last year
- Protein surface topographical mapping tool☆28Updated 2 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 2 years ago