valence-labs / mtl_summer_school_2024Links
☆44Updated last year
Alternatives and similar repositories for mtl_summer_school_2024
Users that are interested in mtl_summer_school_2024 are comparing it to the libraries listed below
Sorting:
- Foster the development of impactful AI models in drug discovery.☆133Updated last week
- ☆214Updated 11 months ago
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆96Updated 8 months ago
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆131Updated 9 months ago
- Awesome list of the data and AI/ML related projects with direct Life Science Companies participation☆34Updated 11 months ago
- A single model for all your molecular design tasks☆142Updated last week
- Dataset and package for working with protein-protein interactions in 3D☆95Updated 4 months ago
- Recursion's molecular foundation model☆57Updated 2 months ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆69Updated 5 months ago
- A foundational package for molecular predictive modelling☆96Updated 10 months ago
- Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)☆167Updated 2 weeks ago
- Machine Learning in Drug Discovery Resources 2024☆228Updated 4 months ago
- Lbster: Language models for Biological Sequence Transformation and Evolutionary Representation☆125Updated last week
- COATI: multi-modal contrastive pre-training for representing and traversing chemical space☆112Updated last year
- Pose checks for 3D Structure-based Drug Design methods☆88Updated 9 months ago
- Multi-domain Distribution Learning for De Novo Drug Design☆109Updated 5 months ago
- Joint embedding of protein sequence and structure with discrete and continuous compressions of protein folding model latent spaces. http:…☆134Updated 4 months ago
- Awesome De novo drugs design papers☆89Updated last year
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆104Updated 9 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆141Updated last week
- A list of manuscripts/tools using diffusion on biological enttieis☆97Updated last year
- Learning Universal Representations of Intermolecular Interactions with ATOMICA☆173Updated last month
- Generative modeling of molecular dynamics trajectories☆166Updated 4 months ago
- Python package to run molecular dynamics simulation of a protein-ligand complex in a single line of code.☆162Updated last month
- Directed evolution of proteins in sequence space with gradients☆87Updated last year
- molfeat - the hub for all your molecular featurizers☆218Updated 3 months ago
- A collection of Jupyter Notebooks that are designed to teach life science students about deep learning.☆151Updated this week
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆98Updated last year
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆48Updated 2 months ago
- Improved antibody structure-based design using inverse folding☆131Updated last week