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/AF_Cluster
Predict multiple protein conformations using sequence clustering and AlphaFold2.
engelberger/antibody_benchmark
Antibody-Antigen Docking and Affinity Benchmark
engelberger/ConformalPD
Unofficial implementation of Conformal Language Modeling by Quach et al
engelberger/EigenFold
EigenFold: Generative Protein Structure Prediction with Diffusion Models
engelberger/esm
Evolutionary Scale Modeling (esm): Pretrained language models for proteins
engelberger/MLDE
A machine-learning package for navigating combinatorial protein fitness landscapes.
engelberger/ColabFold
Making Protein folding accessible to all!
engelberger/conditional-flow-matching
Conditional Flow Matching: Simulation-Free Dynamic Optimal Transport
engelberger/ConformalLLM
Extending Conformal Prediction to LLMs
engelberger/CPBP8330
engelberger/e3nn_profiling
Collection of experiments for profiling e3nn
engelberger/icrofilexperiments
engelberger/k-rcps
engelberger/lida
Automatic Generation of Visualizations and Infographics using Large Language Models
engelberger/ltt
Learn then Test: Calibrating Predictive Algorithms to Achieve Risk Control
engelberger/md-analysis-utils
engelberger/multinomial_diffusion
engelberger/OmegaFold
OmegaFold Release Code
engelberger/personal-timeline
A public release of TimelineBuilder for building personal digital data timelines.
engelberger/PIPPack
Implementation of Protein Invariant Point Packer (PIPPack)
engelberger/posebusters
Plausibility checks for generated molecule poses.
engelberger/RetroExplainer
RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative interpretability
engelberger/Riemannian-geometry-for-efficient-analysis-of-protein-dynamics-data
engelberger/se3_diffusion
Implementation for SE(3) diffusion model with application to protein backbone generation
engelberger/tape-neurips2019
Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different domains of protein biology. (DEPRECATED)
engelberger/TensorRT
NVIDIA® TensorRT™, an SDK for high-performance deep learning inference, includes a deep learning inference optimizer and runtime that delivers low latency and high throughput for inference applications.
engelberger/ThermoMPNN
GNN trained to predict changes in thermodynamic stability for protein point mutants
engelberger/Topics-In-Modern-Statistical-Learning
Materials for STAT 991: Topics In Modern Statistical Learning (UPenn, 2022 Spring) - uncertainty quantification, conformal prediction, calibration, etc
engelberger/tutorial-conformal-prediction
engelberger/ws2023