Karl Leswing Claim this profile

Deep-learning models for Drug Discovery and Quantum Chemistry

Neural Networks for March Madness

In House Meme Generator

Ansible Playbook for setting up a dev box on xubuntu

SQlite Database of at bats from mlb.com

Hungarian Algorithm Through A Web Interface

Junction Tree Variational AutoEncoder Implementation Attempt

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Solutions to ICPC Programming Challenges

DeepChem With Only Small Molecule Code

Robust Molecular Structure Recognition with Image-to-Graph Generation

Predicting Organic Reactivity with LocalTransform

A tool for retrosynthetic planning

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Emily and Ethan Website

Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)

Future Of Care Assets

Google Foobar Solutions

Plugins for DeepChem that use GPL code

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Help People Who Are Bad At Set Get Better

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adventcode solutions

From cryo-EM density map to atomic structure

BitBIRCH clustering algorithm

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A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS

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Code for creating fantasy football dashboards

Python code for working with NFL play by play data.

fantasy football draft assistant with projections fantasy pros.

🔭 spacebin: text sharing for the final frontier

Biomni: a general-purpose biomedical AI agent

Enable Next-Gen Large Language Model Applications. Join our Discord: https://discord.gg/pAbnFJrkgZ

Open-source cron job and background task monitoring service, written in Python & Django

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OAuth Login for Gradio.

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https://docs.openwebui.com

Specify what you want it to build, the AI asks for clarification, and then builds it.

Shell for issuing SQL to relational databases via JDBC

A fancy self-hosted monitoring tool

With one command, create a natural-sounding audiobook from a variety of input formats (epub, mobi, txt, PDF, HTML and more!)

User-friendly WebUI for LLMs (Formerly Ollama WebUI)

Chai-1, SOTA model for biomolecular structure prediction

Trainable & open-source PyTorch reproduction of AlphaFold 2

Python SDK, Proxy Server to call 100+ LLM APIs using the OpenAI format - [Bedrock, Azure, OpenAI, VertexAI, Cohere, Anthropic, Sagemaker, HuggingFace, Replicate, Groq]

LLM Chain for answering questions from documents with citations

Neo4j graph construction from unstructured data using LLMs

Enhanced ChatGPT Clone: Features OpenAI, Assistants API, Azure, Groq, GPT-4 Vision, Mistral, Bing, Anthropic, OpenRouter, Vertex AI, Gemini, AI model switching, message search, langchain, DALL-E-3, ChatGPT Plugins, OpenAI Functions, Secure Multi-User System, Presets, completely open-source for self-hosting. More features in development

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Inference code for LLaMA models

DECIMER: Deep Learning for Chemical Image Recognition using Efficient-Net V2 + Transformer

A Gradio web UI for Large Language Models. Supports transformers, GPTQ, AWQ, EXL2, llama.cpp (GGUF), Llama models.

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A Sequence Generation Model for Reaction Diagram Parsing

Playing Pokemon Red with Reinforcement Learning

💨 Fast, Async-ready, Openapi, type hints based framework for building APIs

Create Customized Software using Natural Language Idea (through Multi-Agent Collaboration)

Python API wrapper for the Yahoo Fantasy Sports public API (supports NFL, NHL, MLB, and NBA).

DLPacker

Automatic Generation of Visualizations and Infographics using Large Language Models

Generative Agents: Interactive Simulacra of Human Behavior

Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing

A program synthesis agent that autonomously fixes its output by running tests!

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Gorilla: An API store for LLMs

AI companions with memory: a lightweight stack to create and host your own AI companions

An open platform for operating large language models (LLMs) in production. Fine-tune, serve, deploy, and monitor any LLMs with ease.

Chemcrow

Search your codebase with natural language • CLI • No data leaves your computer

EigenFold: Generative Protein Structure Prediction with Diffusion Models

Databricks’ Dolly, a large language model trained on the Databricks Machine Learning Platform

Self-hosted AI coding assistant

Making large AI models cheaper, faster and more accessible

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A simple yet comprehensive web scraper for kenpom.com.

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

Starter for Running Experiments On Jenkins

Implementation of Torsional Diffusion for Molecular Conformer Generation

A python interface for training Reinforcement Learning bots to battle on pokemon showdown

P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.

Facilitates searching, screening, and organizing large chemical databases

The latest documentation for the Materials Project.

Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning

Therapeutics Data Commons: Machine Learning Datasets and Tasks for Therapeutics

Repository for the negative results of small molecule pKa active learning

Amundsen is a metadata driven application for improving the productivity of data analysts, data scientists and engineers when interacting with data.

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Jupyter notebooks for the code samples of the book "Deep Learning with Python"

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This package contains deep learning models and related scripts for RoseTTAFold

Open source code for AlphaFold.

Code for "Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits"

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OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

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A package to identify matched molecular pairs and use them to predict property changes.

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The simplest, fastest way to get business intelligence and analytics to everyone in your company :yum:

The interactive graphing library for Python (includes Plotly Express) :sparkles:

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Message Passing Neural Networks for Molecule Property Prediction

Code for the paper: "A Meta-Learning Approach for Graph Representation Learning in Multi-Task Settings", D. Buffelli & F. Vandin, presented at the NeurIPS Workshop on Meta-Learning (MetaLearn) 2020.

Riddler Solutions

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Learning Dash vs Matplotlib Seaborn

Every NYT Crossword in JSON format

Sequential Model-based Algorithm Configuration

Automated Machine Learning with scikit-learn

Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda et al.

Conda build recipe for the rdkit

Official tensorflow implementation for CVPR2020 paper “Learning to Cartoonize Using White-box Cartoon Representations”

The official sources for the RDKit library

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A single DJANGO app for storing state amongst all my projects.

Descriptor computation(chemistry) and (optional) storage for machine learning

Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy assessment for physicochemical properties, environmental fate and toxicological endpoints. ==================>Download the latest compiled version from the "releases" tab and run the executable installer.

solve the SET card game using OpenCV

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Notes ETC for playing around with the kubes

nose is nicer testing for python

Novel Coronavirus (COVID-19) Cases, provided by JHU CSSE

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The official implementation of the Molecule Attention Transformer.

A SMILES-based encoder-decoder architecture for molecular scaffold decoration

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Transformer seq2seq model, program that can build a language translator from parallel corpus

Recurrent Neural Network using randomized SMILES strings to generate molecules

Fast Python Collaborative Filtering for Implicit Feedback Datasets

Playing Around With Go Packing To Understand it

Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations" by Robin Winter, Floriane Montanari, Frank Noe and Djork-Arne Clevert.

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The multiplayer app that lets you frictionlessly play Set online with friends

Molecule Design using Monte Carlo Tree Search with Neural Rollout

Fréchet ChemNet Distance: A quality measure for generative models for molecules

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Figuring out call schedule for residents

Minima is a one-size-fits-all Jekyll theme for writers.

🖥️ Automated Configuration, Preferences and Software Installation for macOS

Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows

Website Handing Out Murder Mystery Roles

gnina is not smina/vina

A unified framework of perturbation and gradient-based attribution methods for Deep Neural Networks interpretability. DeepExplain also includes support for Shapley Values sampling. (ICLR 2018)

six_degrees_of_bacon

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Input Club Wiki

The Input Club Engineering Blog

Client-side component of the configurator

IntelliJ IDEA Community Edition

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

Highly modularized implementation of popular deep RL algorithms in PyTorch

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A script to run structural alerts using the RDKit and ChEMBL

A distribution and logging web-server for pleasingly parallel tasks.

advent-go

Code for reproducing results in "Glow: Generative Flow with Invertible 1x1 Convolutions"

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Deep Reinforcement Learning for de-novo Drug Design

Helping a NYU student with programming for data analysis. Place to store assets

Computation using data flow graphs for scalable machine learning

Neural Network Toolbox on TensorFlow

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Code for the "Grammar Variational Autoencoder" https://arxiv.org/abs/1703.01925

Lime: Explaining the predictions of any machine learning classifier

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Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow

Visual Convolutional Neural Graph Fingerprints in Theano/Lasagne

Simulated datasets of DNA

A modern, open library for the analysis of molecular dynamics trajectories

Code for "Model-Agnostic Meta-Learning for Fast Adaptation of Deep Networks"

Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning

tau_parser

Implementation of https://arxiv.org/abs/1703.00792.

Jenkins Job Which Clones a Master For Branch Pushes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

conda build recipes for the Omnia project

generate MNIST using a Variational Autoencoder

Autoencoder network for learning a continuous representation of molecular structures.

Google Code Jam Solutions

Send People Texts Whom Their Secret Santa Targets

Project Euler Solutions

Model T Intersection using Clustering

Distributes And Tracks Work for Pleasingly Parallel Problems.

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Bachelor In Paradise Fantasy

Is it faster to walk with or against traffic in NYC?

All the miscellaneous bullshit to get a TODO app going in dev and production environments.

Application Architecture for Building User Interfaces

Mr Square Solver

A Hearthstone: Heroes of WarCraft Simulator for the purposes of Machine Learning and Data Mining

Website to watch award shows

Simple Ticketing System For Git Based Projects

python boggle solver