Pinned Repositories
ACPI
Adaptive Conformal Prediction Intervals (ACPI) is a Python package that enhances the Predictive Intervals provided by the split conformal approach by employing a weighting strategy.
all_atom_binder_diffusion
BioPython-A3MIO
A3M/A2M support for BioPython
DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
e3nn.c
Pure C implementation of e3nn
eurrosettacon2022
Dockign Tutorial Pyrosetta
intro-ai-pd
PDB_Energy_Analysis-v-0
Interactive Tool-set for Analysis of Energetic Changes caused by Protein Mutations
ProteinMPNN
Code for the ProteinMPNN paper
u_LigandMPNN
unnoficial LigandMPNN code from the Pseudocycle_small_molecule_binder paper
engelberger's Repositories
engelberger/all_atom_binder_diffusion
engelberger/e3nn.c
Pure C implementation of e3nn
engelberger/ACPI
Adaptive Conformal Prediction Intervals (ACPI) is a Python package that enhances the Predictive Intervals provided by the split conformal approach by employing a weighting strategy.
engelberger/meilerlab-chile
engelberger/alphaflow
AlphaFold Meets Flow Matching for Generating Protein Ensembles
engelberger/alphafold3-pytorch
Implementation of Alphafold 3 in Pytorch
engelberger/avoidome-analysis
A repository for downloading and analyzing the available Avoidome structures
engelberger/BasisLib
Your favorite basis functions for equivariant models in one place. Code borrowed from e3x
engelberger/cheap-proteins
engelberger/chroma
A generative model for programmable protein design
engelberger/concurrent_agent_executor
An concurrent runtime for tool-enhanced language agents
engelberger/DeProt
Code for DeProt. A protein language model with quantizied structure and disentangled attention
engelberger/EnzymeStability
engelberger/FrustraEvo
engelberger/frustrapy
engelberger/InfGCN-pytorch
Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.
engelberger/LieNeurons
Adjoint-Equivariant Neural Network for Semi-Simple Lie Algebras
engelberger/live-typescript-monorepo
Strategies for live-updating TypeScript types in monorepos
engelberger/ludwig
Low-code framework for building custom LLMs, neural networks, and other AI models
engelberger/masif-neosurf
MaSIF-neosurf: surface-based protein design for ternary complexes.
engelberger/misato-dataset
engelberger/MutComputeX
engelberger/penzai
A JAX research toolkit for building, editing, and visualizing neural networks.
engelberger/PPIRef
Working with protein-protein interactions in 3D
engelberger/proteinmpnn_ddg
Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.
engelberger/pyDDM
Code to build and analyze distance difference matrices (DDMs) to compare protein conformations. Also contains all code associated with "They all rock: A systematic comparison of conformational movements in LeuT-fold transporters"
engelberger/RFdiffusion
Code for running RFdiffusion
engelberger/RoseTTAFold-All-Atom
engelberger/TidyScreen
engelberger/vaccine-design