Benchmark

Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions

PaRoutes is a framework for benchmarking multi-step retrosynthesis methods,i.e. route predictions. It provides: A curated reaction dataset for building one-step retrosynthesis models Two sets of 10,000 routes Two sets of stock molecules to use as stop-criterion for the search Scripts to compute route quality and route diversity metrics Prerequisites Before you begin, ensure you have met the following requirements: Linux, Windows or macOS platforms are supported – as long as the dependencies are supported on these platforms. You have installed […]

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Tool

A tool for generating skill map/tree like diagram

A tool for generating skill map/tree like diagram. Skill tree is a term used in video games, and it can be used for describing roadmaps for software project development as well. This project borrows inspiration and ideas from two sources: https://hacks.mozilla.org/2018/10/webassemblys-post-mvp-future/ https://github.com/nikomatsakis/skill-tree After installation, a skillmap command is available. Create a toml format skill map descriptor file. You can find more details about this descriptor format here. For a minimal example, see docs/examples/hello_world.toml [skillmap] name = “hello world” icon = […]

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Python

Manage Your To-Do Lists Using Python and Django

Have you ever struggled to keep track of the things that you need to do? Perhaps you’re in the habit of using a handwritten to-do list to remind you of what needs doing, and by when. But handwritten notes have a way of getting lost or forgotten. Because you’re a Python coder, it makes sense to build a Django to-do list manager! In this step-by-step tutorial, you’re going to create a web app using Django. You’ll learn how Django can […]

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Dataset

Chord-Conditioned Melody Choralization with Controllable Harmonicity and Polyphonicity

Chord-Conditioned Melody Choralization with Controllable Harmonicity and Polyphonicity This is the source code of DeepChoir, a melody choralization system, which can generate a four-part chorale for a given melody conditioned on a chord progression, trained/validated on Chordified JSB Chorales Dataset. The evaluation data we used in our experiments in the outputs folder, and the musical discrimination test is available at https://sander-wood.github.io/deepchoir/test. The generated samples (chorales, folk songs and a symphony) are in the samples folder, you can also listening them […]

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Tool

EPH – A tool which allows you to perform scans to find exposed administration panels that can lead to security vulnerabilities

EPH is a tool which allows you to perform scans to find exposed administration panels that can lead to security vulnerabilities. It can be used offensively (Pentest, Bug Bounty…) or defensively (Threat Hunting). The search is realized by Shodan, so you will need an API key (free API keys are not working).Queries can be done with a custom favicon or by using the available database containing a list of dangerous and frequently used panels. Gitlab FS Switch Spring Boot Tomcat […]

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Automation

Automatic construction of wannier functions for any 3D transition metal based system with or without SOC

Automatic construction of wannier functions for any 3D transition metal based system with or without SOC Written by Ilias Samathrakis and Zeying Zhang The algorithm is summarized briefly in J. Phys. Chem. Lett. 2018, 9, 21, 6224–6231https://pubs.acs.org/doi/abs/10.1021/acs.jpclett.8b02800 INTRODUCTION We present an open-source code, written in Python, that is used toconstruct wannier functions for any 3D transition metal based systemwith or without SOC automatically. REQUIREMENTS The code is only tested on Linux systems and requires Python3 and the library ‘pymatgen’ Download […]

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Search

Search, select and execute Fastlane lanes directly from Alfred

Search, select and execute Fastlane lanes directly from Alfred alfred-fastlane.mp4 Features ✅ Scrapes lanes from Fastfile ✅ Optional caching for remote lanes ✅ Auto-detects open Xcode project ✅ Fuzzy matching ✅ Supports parameters ✅ In-Alfred settings flow Getting started Toggle Alfred → type fl → select path containing Fastlane folder ↩︎ With lane selected, hold ⌘ to toggle between bundle exec fastlane [lane] and fastlane [lane] Hold ⌥ or ⇧ to pass parameters to selected lane Lanes contained within the […]

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Tool

Create and maintain simple Tools that anyone can use without having to code

This Repository is intended to create and maintain simple Tools that anyone can use without having to code. The tools can be as simple as extracting few keywords from text, but with lot of options and customizations. Invoking the tools should be as simple as Double Clicking the Python files. Any extra requirements will be mentioned explicitly in the python files itself or an Usage example will be provided. simpleLogFilter.py Python Modules Installation pip install PySimpleGUI simpleUMLGenerator Pre-requisites pip install […]

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Benchmark

A benchmarking framework for solving automatic design problems that involve choosing an input that maximizes a black-box function

Design-Bench is a benchmarking framework for solving automatic design problems that involve choosing an input that maximizes a black-box function. This type of optimization is used across scientific and engineering disciplines in ways such as designing proteins and DNA sequences with particular functions, chemical formulas and molecule substructures, the morphology and controllers of robots, and many more applications. These applications have significant potential to accelerate research in biochemistry, chemical engineering, materials science, robotics and many other disciplines. We hope this […]

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