Lists (17)
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Flexible Python configuration system. The last one you will ever need.
Hydra is a framework for elegantly configuring complex applications
An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular design
A Python Library for Outlier and Anomaly Detection, Integrating Classical and Deep Learning Techniques
Thermodynamic Hypergraphical Model Library in JAX
WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
"AI-Trader: Can AI Beat the Market?" Live Trading: https://hkuds.github.io/AI-Trader/
A fully open source biomolecular structure prediction model based on AlphaFold3
Code for "Calibrating Generative Models" by Henry Smith, Nathaniel Diamant, and Brian Trippe
PeptoneBench: evaluating protein ensembles across the order-disorder continuum
IgGM adaptation for easy use in Google Colab
Public releases of the msmJAX fast electrostatics code
IntelliFold: A Controllable Foundation Model for General and Specialized Biomolecular Structure Prediction.
Official repository for the ProteinDJ protein design pipeline
mBER - Manifold Binder Engineering and Refinement. mBER enables antibody binder design by leveraging structure templates and sequence conditioning in backprop design through AlphaFold-Multimer. Pre…
Codebase for Germinal, a broadly enabling generative pipeline for efficient generation of epitope-targeted de novo antibodies.
Elegant easy-to-use neural networks + scientific computing in JAX. https://docs.kidger.site/equinox/
An implementation of ESM2 in Equinox+JAX
Convert mmCIF to PDB protein structure file format
This Repo consists the python note books of IITM - Mathematical Foundations for Generative AI Course,
A high-performance, GPU-accelerated library for key computational chemistry tasks, such as molecular similarity, conformer generation, and geometry relaxation.
A partially latent flow matching model for the joint generation of a protein’s amino acid sequence and full atomistic structure, including both the backbone and side chain.