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paper-qa
LLM Chain for answering questions from documents with citationsdmol-book
Deep learning for molecules and materials bookmolbloom
Molecular bloom filter toolmolcloud
Make a bunch of moleculesnumerical_stats
Introduction to Numerical Methods and Statistics with Jupyter Notebooks & Pythonskunk
Insert SVG images into matplotlib elements. Can be used to also compose matplotlib plots by nesting them.nlcc
Natural language computational chemistry command line interface.symd
N-Dimensional MD engine with symmetry group constraintsrobust-mrkl
A langchain agent that retriessynspace
Synthesis generative modelemoji-chem
🥳emojis in chemistry⚗️🥳marvis
VMD Audio/Text control with natural languageemoji-math
A complete waste of timeternviz
chemhover
In progressshout
Async whisperForcePy
Coarse-graining library that implements Force-matchinggraphnmr
protein-emoji
Files and utilities for protein-emojimolecule-dream
Moleculessvelte-chem-algebra
simple-chem-benchmarks
plumed-experiments
A fork of plumed which has experiment directed metadynamics and experiment directed simulation implementations.vdict
pyodide-worker
A demo of how to use pyodide in a web workersqlshare-r
SQLShare API for Rchem-matcher
autosmith
Make tools quicklyJSMD
A molecular dynamics written in javascriptpeplib
Peptide library methodspsurf
Protein surface scripts and codeclipmol
svlete-qa-bench
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