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Andrew White's repositories

paper-qa

LLM Chain for answering questions from documents with citations

Language:PythonApache-2.03678 40 130

dmol-book

Deep learning for molecules and materials book

Language:Jupyter NotebookNOASSERTION582 16 157

molbloom

Molecular bloom filter tool

Language:PythonMIT106 2 10

molcloud

Make a bunch of molecules

Language:PythonMIT88 2 3

skunk

Insert SVG images into matplotlib elements. Can be used to also compose matplotlib plots by nesting them.

Language:PythonMIT69 4 2

nlcc

Natural language computational chemistry command line interface.

Language:Python43 5 9

symd

N-Dimensional MD engine with symmetry group constraints

Language:Jupyter NotebookMIT43 2 5

robust-mrkl

A langchain agent that retries

Language:PythonMIT42 30

synspace

Synthesis generative model

Language:PythonMIT35 3 3

emoji-chem

🥳emojis in chemistry⚗️🥳

Language:Jupyter Notebook24 4 1

emoji-math

A complete waste of time

Language:Python14 3 2

ternviz

Language:PythonMIT12 30

shout

Async whisper

Language:PythonMIT9 2 1

svelte-chem-algebra

Language:JavaScript6 30

electronic-dance-music

Experiment directed metadynamics plugin in for lammps or other engines

Language:C++GPL-3.04 50

autosmith

Make tools quickly

Language:PythonApache-2.03 2 2

chem-matcher

Language:Rust3 20

langchain

⚡ Building applications with LLMs through composability ⚡

Language:PythonMIT3 10

vdict

Language:PythonMIT3 20

whisper.cpp

Port of OpenAI's Whisper model in C/C++

Language:CMIT3 10

sanclone

Language:Python2 20

0x23

0xe4cc

Language:VueMIT1 20

molskill

Learning chemical intuition from humans in the loop. Supporting code.

Language:PythonMIT1 10

svlete-qa-bench

Language:JavaScript1 20

framework44.co

Language:JavaScript020

gpt_index

GPT Index is a project consisting of a set of data structures designed to make it easier to use large external knowledge bases with LLMs.

Language:PythonMIT010

litellm

Call all LLM APIs using the OpenAI format. Use Bedrock, Azure, OpenAI, Cohere, Anthropic, Ollama, Sagemaker, HuggingFace, Replicate (100+ LLMs)

NOASSERTION000

lm-seqopt

Language:Python020

smilesDrawer

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

Language:JavaScriptMIT010

useful_rdkit_utils

Some useful RDKit functions

Language:Jupyter NotebookMIT010