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enlighten2-pymol

PyMOL plugin for enlighten2

ensemble-pytorch

A unified ensemble framework for PyTorch to improve the performance and robustness of your deep learning model.

ensembler

Automated omics-scale protein modeling and simulation setup.

entanglement-forging

A module for simulating chemical and physical systems using a Variational Quantum Eigensolver (VQE) enhanced by Entanglement Forging.

entropysearch

Search spectral library with entropy similarity

enumeratum

A type-safe, reflection-free, powerful enumeration implementation for Scala with exhaustive pattern match warnings and helpful integrations.

enzyme

High-performance automatic differentiation of LLVM.

enzynet

EnzyNet: enzyme classification using 3D convolutional neural networks on spatial representation

epcb-gnns

epitope-prediction

equiformer-pytorch

Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding

equivariantmultipolegnn

Equivariant GNN for the prediction of atomic multipoles up to quadrupoles.

erpv

Open Source Enterprise Resource Planning.

esm

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

esoinn-dp

Ab initio MD package with enhanced self organized increment high dimensional neural network

espei

Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59

espsim

Scoring of shape and ESP similarity with RDKit

essay_for_molecular_generation

This repo have a tendency to provide the newest paper about molecular generation or evolution, it will also be convenient for everyone to get info about Drug Discovery).

essentialmath

estimated-time-of-arrival

esugar

An Erlang Syntactic Sugar Library

etcher

Flash OS images to SD cards & USB drives, safely and easily.

euporie

Euporie is a text-based user interface for running and editing Jupyter notebooks

evcouplings

Evolutionary couplings from protein and RNA sequence alignments

evcxr

event

porting mbed-events to windows platform

evomol

Evolutionary algorithm for molecular properties optimization

evonorm

Unofficial PyTorch Implementation of EvoNorm

exact-cp-optimization

Code accompaining the paper "Exact Optimization of Conformal Predictors via Incremental and Decremental Learning"

examples

Example deep learning projects that use wandb's features.