23 projects
pqapi
API for interacting with paperqa.app
paper-qa
LLM Chain for answering questions from docs
chemcrow
Accurate solution of reasoning-intensive chemical tasks, powered by LLMs.
molbloom
Purchaseable SMILES filter
ternviz
Render SMILES into 3D video
skunk
Insert SVGs into matplotlib figures
bolift
BayesOPT with LIFT
exmol
Counterfactual generation with STONED SELFIES
autosmith
Make tools quickly automatically
rmrkl
Robust Modular Reasoning, Knowledge and Language agent that uses tools and retries on failure
nmrgnn-data
Chemical shift prediction dataset
synspace
Generative model based on forward synthesis rules
nlcc
Natural language computational chemistry
vdict
A dict with a vector index for fast lookup of nearest neighbors
dmol-book
Style and Imports for dmol Book
emojichem
Replace elements with emojis in rdkit
wazy
Pretrained Bayesian Optimization of Sequences
symd
Symmetric Molecular Dynamics
molcloud
Insert SVGs into matplotlib figures
kdeepensemble
Deep ensembles for Keras
shadyquant
Shaded quantile plot
maxent-infer
Maximum entropy inference Keras implementation
nmrgnn
Chemical shift predictor
