Pinned Repositories
dmol-book
Deep learning for molecules and materials book
molbloom
Molecular bloom filter tool
molcloud
Make a bunch of molecules
nlcc
Natural language computational chemistry command line interface.
numerical_stats
Introduction to Numerical Methods and Statistics with Jupyter Notebooks & Python
paper-qa
LLM Chain for answering questions from documents with citations
protein-emoji
Files and utilities for protein-emoji
skunk
Insert SVG images into matplotlib elements. Can be used to also compose matplotlib plots by nesting them.
symd
N-Dimensional MD engine with symmetry group constraints
synspace
Synthesis generative model
whitead's Repositories
whitead/paper-qa
LLM Chain for answering questions from documents with citations
whitead/dmol-book
Deep learning for molecules and materials book
whitead/molbloom
Molecular bloom filter tool
whitead/molcloud
Make a bunch of molecules
whitead/skunk
Insert SVG images into matplotlib elements. Can be used to also compose matplotlib plots by nesting them.
whitead/nlcc
Natural language computational chemistry command line interface.
whitead/symd
N-Dimensional MD engine with symmetry group constraints
whitead/robust-mrkl
A langchain agent that retries
whitead/synspace
Synthesis generative model
whitead/emoji-chem
🥳emojis in chemistry⚗️🥳
whitead/emoji-math
A complete waste of time
whitead/ternviz
whitead/shout
Async whisper
whitead/svelte-chem-algebra
whitead/electronic-dance-music
Experiment directed metadynamics plugin in for lammps or other engines
whitead/autosmith
Make tools quickly
whitead/chem-matcher
whitead/langchain
⚡ Building applications with LLMs through composability ⚡
whitead/vdict
whitead/whisper.cpp
Port of OpenAI's Whisper model in C/C++
whitead/sanclone
whitead/0x23
0xe4cc
whitead/molskill
Learning chemical intuition from humans in the loop. Supporting code.
whitead/svlete-qa-bench
whitead/framework44.co
whitead/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.
whitead/litellm
Call all LLM APIs using the OpenAI format. Use Bedrock, Azure, OpenAI, Cohere, Anthropic, Ollama, Sagemaker, HuggingFace, Replicate (100+ LLMs)
whitead/lm-seqopt
whitead/smilesDrawer
A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.
whitead/useful_rdkit_utils
Some useful RDKit functions