NVIDIA-BioNeMo-blueprints / generative-virtual-screeningLinks
NVIDIA BioNeMo blueprint for generative AI-based virtual screening
☆76Updated 2 weeks ago
Alternatives and similar repositories for generative-virtual-screening
Users that are interested in generative-virtual-screening are comparing it to the libraries listed below
Sorting:
- Learning Universal Representations of Intermolecular Interactions with ATOMICA☆191Updated 2 months ago
- ☆52Updated 2 years ago
- A model-context-protocol server for molecules.☆83Updated 7 months ago
- BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries☆91Updated this week
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆31Updated 11 months ago
- LABODOCK: A Colab-Based Molecular Docking Tools☆50Updated 9 months ago
- Plugin for folding sequences directly in PyMOL☆106Updated 3 months ago
- Structure prediction of alternative protein conformations☆80Updated 8 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.☆69Updated 3 weeks ago
- ☆67Updated 6 months ago
- Tools for molecular Docking☆27Updated 3 months ago
- NVIDIA BioNeMo blueprint for generative protein binder design☆31Updated last month
- ☆57Updated 2 years ago
- AlphaFold-initiated replica exchange protein docking☆84Updated 5 months ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆68Updated 7 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 6 months ago
- Code for peptide ligand design with machine learning models.☆28Updated 11 months ago
- A Consensus Docking Plugin for PyMOL☆78Updated last year
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆76Updated 7 months ago
- Quick mapping of Uniprot sequences to PDB structures☆35Updated 7 months ago
- Ligand-Protein Interaction Mapping☆65Updated 6 months ago
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆26Updated 4 years ago
- Awesome list of the data and AI/ML related projects with direct Life Science Companies participation☆35Updated last year
- Slides + Iframe = sliFrame☆55Updated 7 months ago
- JAEGER is a deep generative approach for small-molecule design☆30Updated 3 years ago
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆54Updated 4 months ago
- ☆51Updated 11 months ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆125Updated 2 years ago
- PocketDTA☆30Updated last year