dwillhelm

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Daniel's starred repositories

python-fire

Python Fire is a library for automatically generating command line interfaces (CLIs) from absolutely any Python object.

Language:PythonNOASSERTION26771 370 317

full-stack-fastapi-template

Full stack, modern web application template. Using FastAPI, React, SQLModel, PostgreSQL, Docker, GitHub Actions, automatic HTTPS and more.

Language:TypeScriptMIT25019 269 410

label-studio

Label Studio is a multi-type data labeling and annotation tool with standardized output format

Language:JavaScriptApache-2.017925 173 2144

FinanceToolkit

Transparent and Efficient Financial Analysis

Language:PythonMIT2728 67 82

doit

CLI task management & automation tool

Language:PythonMIT1830 48 304

segment-anything-video

MetaSeg: Packaged version of the Segment Anything repository

Language:PythonApache-2.0941 12 45

moses

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

Language:PythonMIT805 37 56

whenever

⏰ Modern datetime library for Python, available in Rust or pure Python

Language:PythonMIT783 8 51

dagobah

Simple DAG-based job scheduler in Python

Language:CSSWTFPL755 51 116

papers-for-molecular-design-using-DL

List of Molecular and Material design using Generative AI and Deep Learning

GPL-3.0624 23 2

pypyr

pypyr task-runner cli & api for automation pipelines. Automate anything by combining commands, different scripts in different languages & applications into one pipeline process.

Language:PythonApache-2.0581 14 138

faiss_tips

Some useful tips for faiss

Language:ShellMIT577 10 5

st-annotated-text

A simple component to display annotated text in Streamlit apps.

Language:PythonApache-2.0506 11 30

smilesDrawer

A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.

Language:JavaScriptMIT433 12 144

exmol

Explainer for black box models that predict molecule properties

Language:Jupyter NotebookMIT278 9 69

cyclopts

Intuitive, easy CLIs based on python type hints.

Language:PythonApache-2.0268 3 49

awesome-chemistry-datasets

overview of datasets for ML in chemistry

CC0-1.0232 10 42

manual-python-geologia

Python para Geólogos

Language:Jupyter NotebookMIT166 130

stoned-selfies

This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES

Language:Jupyter Notebook115 10 6

chemnlp

ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data

Language:PythonMIT64 9 1

flowmm

Code for “FlowMM Generating Materials with Riemannian Flow Matching”.

Language:PythonNOASSERTION60 6 2

xsmiles

Visualize atom and non-atom attributions and SMILES strings

Language:TypeScriptBSD-3-Clause41 4 1

chemistry_drawer

Draw molecules with plotly!

Language:PythonBSD-3-Clause35 1 1

atlas

A brain for self-driving laboratories

Language:PythonMIT25 3 1

MIMOSA

MIMOSA: Multi-constraint Molecule Sampling for Molecule Optimization (AAAI 21')

Language:Python25 10

COMA

COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses

Language:Jupyter NotebookBSD-3-Clause16 4 2

sdk.py

Python optimization SDK

Language:PythonApache-2.08 1 9

MoINN

Neural Network for Automatic Identification of Chemical Moieties

Language:PythonMIT300

moonlighter_bayesian_bandit_pricing

Demonstration of using Baysian bandits method to price items and choose which to sell in a paired-down Moonlighter shop simulation

Language:Jupyter Notebook200

chemistry-drawing

A web based tool for chemistry drawings with fabric.js

Language:JavaScriptMIT100