wudangt / awesome-molecular-modeling-and-drug-discovery
A curated list of awesome Molecular Modeling And Drug Discovery π₯
β10Updated 2 years ago
Related projects β
Alternatives and complementary repositories for awesome-molecular-modeling-and-drug-discovery
- Computational Analysis of Novel Drug Opportunitiesβ35Updated 3 weeks ago
- ABC of chemoinformaticsβ18Updated 6 years ago
- β27Updated 6 months ago
- ATTRACT program suite for macromolecular docking (protein-protein, protein-nucleic acid, protein-peptide)β16Updated 9 months ago
- A unified and modular interface to homology modelling softwareβ11Updated last year
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)β27Updated this week
- β21Updated last year
- Learning Protein Constitutive Motifs from Sequence Data: RBM toolboxβ20Updated 5 years ago
- β20Updated this week
- Tutorials and examples for nicer animations (movies) and images in PyMOL.β20Updated 9 years ago
- StarGazer is a tool designed for rapidly assessing drug repositioning opportunities. It combines multi-source, multi-omics data with a noβ¦β32Updated last year
- Structural Bioinformatics is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your coβ¦β63Updated last year
- β30Updated 3 years ago
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G prβ¦β34Updated this week
- π Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure dataβ¦β11Updated 6 years ago
- AlphaLink2: Integrating crosslinking MS data into Uni-Fold-Multimerβ47Updated 3 months ago
- OCEAN - Optimized Cross rEActivity estimatioNβ11Updated 4 years ago
- RNA Structural Bioinformatics Crash Course & Data Science in Pythonβ11Updated 2 years ago
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.β21Updated 2 years ago
- Web application for protein-ligand binding sites analysis and visualizationβ14Updated last year
- Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physicsβ14Updated last year
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.β¦β16Updated last year
- Graph Network for protein-protein interface including language model featuresβ25Updated 7 months ago
- a collection of colabs useful for molecular biologyβ27Updated 8 months ago
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available abβ¦β27Updated 4 months ago
- fragbuilder is a tool to create, setup and analyze QM calculations on peptides.β14Updated 10 years ago
- β15Updated last year
- β24Updated 2 months ago
- β12Updated last year
- Information sharing portal about nCov/SARS/MERS for drug discoveryβ38Updated last month