drorlab / GLOW_IVES
☆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
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆20Updated last year
- Data set of protein-ligand complexes with reliable experimental structures and affinities☆29Updated last month
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆24Updated last week
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Updated last year
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆15Updated 10 months ago
- ☆23Updated 4 months ago
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆17Updated 4 months ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆11Updated last year
- ☆19Updated 2 years ago
- ☆23Updated 10 months ago
- ☆16Updated 7 months ago
- Contributed and additional nodes for maize☆14Updated 5 months ago
- ☆32Updated 9 months ago
- ☆11Updated 8 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆22Updated this week
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆19Updated 2 months ago
- Python API for Pharmer☆11Updated 5 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆13Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆27Updated last week
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆29Updated 2 years ago
- ☆27Updated 10 months ago
- Deep Learning-based Bioisosteric Replacements for Optimization of Multiple Molecular Properties☆13Updated last month
- Kinome-wide structural pocket similarity☆10Updated 2 years ago
- ☆12Updated 10 months ago
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆13Updated 3 years ago
- Use AutoDock for Ligand-based Virtual Screening☆20Updated 7 months ago
- ☆26Updated 2 years ago
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆19Updated 2 years ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆11Updated 10 months ago
- SE(3)-equivariant point cloud networks for virtual screening☆11Updated 2 years ago