PiotrKlukowski / ARTINA
☆13Updated 2 years ago
Alternatives and similar repositories for ARTINA:
Users that are interested in ARTINA are comparing it to the libraries listed below
- Automated analysis of LCMS data for high throughput chemistry experiments☆16Updated 2 months ago
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆67Updated 2 months ago
- Structure prediction of alternative protein conformations☆72Updated 4 months ago
- Geometric Flow Matching for Generative Protein-Ligand Docking and Affinity Prediction (CASP16)☆60Updated this week
- AlphaLink2: Integrating crosslinking MS data into Uni-Fold-Multimer☆52Updated last week
- Library for processing molecules and reactions in python way☆41Updated 2 weeks ago
- Practical Cheminformatics Blog Posts☆55Updated 2 months ago
- ☆32Updated last week
- Machine Learning dataset splitting for life sciences.☆26Updated 6 months ago
- Simple, lightweight package for genetic algorithms on molecules☆50Updated 2 months ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆59Updated 2 months ago
- molecular plots in Jupyter, powererd by Blender Geometry Nodes☆55Updated 9 months ago
- ☆39Updated last year
- Predicting tandem mass spectra from molecules☆81Updated last year
- Molecular Out-Of-Distribution☆36Updated 11 months ago
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆66Updated 4 months ago
- Bioinformatics and Cheminformatics protocols for peptide analysis☆37Updated 2 years ago
- Implementation of reaction condition prediction with Parrot☆10Updated last year
- Repository for the SCS Spring School on Digital Chemistry☆20Updated last year
- A benchmark for 3D biomolecular structure prediction models☆52Updated last month
- The code corresponding to Transfer Learning for a Foundational Chemistry Model☆11Updated last year
- Molecular filtering for drug discovery.☆55Updated 2 weeks ago
- MoleculeBind is a machine-learning framework for chemistry, where we target unifying various molecular representations into one common la…☆16Updated this week
- ☆40Updated last month
- DreaMS (Deep Representations Empowering the Annotation of Mass Spectra)☆23Updated this week
- Novana is a cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆35Updated 2 months ago
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆49Updated 2 months ago
- Encoding MS/MS spectra using formula transformers for inferring molecular properties☆50Updated 7 months ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆33Updated this week
- Awesome list of the data and AI/ML related projects with direct Life Science Companies participation☆33Updated 4 months ago