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cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffDock, MACE, Allegro and NEQUIP, based on equivariant neural n…
A trainable PyTorch reproduction of AlphaFold 3.
Chai-1, SOTA model for biomolecular structure prediction
A list of startups that have employee-friendly terms for exercising your options past 90 days.
A small package to create visualizations of PyTorch execution graphs
A tool to modify ONNX models in a visualization fashion, based on Netron and Flask.
Kokkos C++ Performance Portability Programming Ecosystem: The Programming Model - Parallel Execution and Memory Abstraction
Flexible and powerful tensor operations for readable and reliable code (for pytorch, jax, TF and others)
New operators for the ReferenceEvaluator, new kernels for onnxruntime, CPU, CUDA
A high performance drop-in replacement for Biotite's PDBFile.
Python package for working with Gemini WorkList (gwl) files
The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RBFE) calculations on protein-ligand systems, compatible with …
interactive & hardware agnostic SDK for lab automation
A scalable and versatile library to generate representations for atomic-scale learning
Force-field-enhanced Neural Networks optimized library
AlphaFold Meets Flow Matching for Generating Protein Ensembles
PINDER: The Protein INteraction Dataset and Evaluation Resource
Protein Ligand INteraction Dataset and Evaluation Resource
Foster the development of impactful AI models in drug discovery.
Materials and assets for the 2024 OMSF workshop
Developer-friendly, serverless vector database for AI applications. Easily add long-term memory to your LLM apps!
NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
A JAX research toolkit for building, editing, and visualizing neural networks.
A user-friendly tool chain that enables the seamless execution of ONNX models using JAX as the backend.