-
gpt_index Public
Forked from run-llama/llama_indexGPT Index is a project consisting of a set of data structures designed to make it easier to use large external knowledge bases with LLMs.
Python MIT License UpdatedFeb 3, 2023 -
useful_rdkit_utils Public
Forked from PatWalters/useful_rdkit_utilsSome useful RDKit functions
-
-
-
-
-
-
selfies Public
Forked from aspuru-guzik-group/selfiesRobust representation of semantically constrained graphs, in particular for molecules in chemistry
Python Apache License 2.0 UpdatedJul 11, 2022 -
-
pyodide-worker Public
A demo of how to use pyodide in a web worker
-
plumed2 Public
Forked from plumed/plumed2Development version of plumed 2
C++ GNU Lesser General Public License v3.0 UpdatedMay 16, 2022 -
-
asciiMol Public
Forked from dewberryants/asciiMolCurses based ASCII molecule viewer for linux terminals.
-
Img2Mol Public
Forked from bayer-science-for-a-better-life/Img2Mol -
DECIMER-Image_Transformer Public
Forked from Kohulan/DECIMER-Image_TransformerDECIMER 1.0: Deep Learning for Chemical Image Recognition using Transformers
-
-
-
-
-
-
-
-
marvis Public
VMD Audio/Text control with natural language
-
-
meta Public
Forked from executablebooks/metaPlanning and Collaborative Space for Executable Book Project
Python UpdatedDec 12, 2020 -
GromacsWrapper Public
Forked from Becksteinlab/GromacsWrapperGromacsWrapper is a python package that wraps system calls to Gromacs tools into thin classes. This allows for fairly seamless integration of the gromacs tools into python scripts. This is generall…
-
numerical_stats Public
Introduction to Numerical Methods and Statistics with Jupyter Notebooks & Python
-
ForcePy Public
Coarse-graining library that implements Force-matching
-
-
plumed-experiments Public
A fork of plumed which has experiment directed metadynamics and experiment directed simulation implementations.
{{ message }}