Pinned Repositories
aviary
Gymnasium framework for training language model agents on constructive tasks
paper-qa
High accuracy RAG for answering questions from scientific documents with citations
chemcrow-public
Chemcrow
exmol
Explainer for black box models that predict molecule properties
dmol-book
Deep learning for molecules and materials book
minimalaf
Minimal AlphaFold
molbloom
Molecular bloom filter tool
molcloud
Make a bunch of molecules
numerical_stats
Introduction to Numerical Methods and Statistics with Jupyter Notebooks & Python
skunk
Insert SVG images into matplotlib elements. Can be used to also compose matplotlib plots by nesting them.
whitead's Repositories
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/minimalaf
Minimal AlphaFold
whitead/robust-mrkl
A langchain agent that retries
whitead/symd
N-Dimensional MD engine with symmetry group constraints written in C
whitead/nlcc
Natural language computational chemistry command line interface.
whitead/synspace
Synthesis generative model
whitead/ternviz
whitead/shout
Async whisper
whitead/svelte-chem-algebra
whitead/autosmith
Make tools quickly
whitead/chem-matcher
whitead/electronic-dance-music
Experiment directed metadynamics plugin in for lammps or other engines
whitead/sanclone
whitead/whisper.cpp
Port of OpenAI's Whisper model in C/C++
whitead/ldp
Agent framework for constructing language model agents and training on constructive tasks.
whitead/molskill
Learning chemical intuition from humans in the loop. Supporting code.
whitead/ssp
simple scholar parser
whitead/svlete-qa-bench
whitead/aviary
Gymnasium framework for training language model agents on constructive tasks
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/msgbid
Message bidding
whitead/muzero_sketch
whitead/poly
A Go package for engineering organisms.
whitead/smilesDrawer
A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.