Manas02's Stars
zed-industries/zed
Code at the speed of thought – Zed is a high-performance, multiplayer code editor from the creators of Atom and Tree-sitter.
benfred/py-spy
Sampling profiler for Python programs
mherrmann/helium
Lighter web automation with Python
Suor/funcy
A fancy and practical functional tools
mtoyoda/sl
SL(1): Cure your bad habit of mistyping
approximatelabs/sketch
AI code-writing assistant that understands data content
lammps/lammps
Public development project of the LAMMPS MD software package
researchmm/SiamDW
[CVPR'19 Oral] Deeper and Wider Siamese Networks for Real-Time Visual Tracking
maxhumber/gif
The matplotlib Animation Extension
fspoettel/advent-of-code-rust
🎄Starter template for solving Advent of Code in Rust.
jensengroup/propka
PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
dockstring/dockstring
A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.
gnina/libmolgrid
Comprehensive library for fast, GPU accelerated molecular gridding for deep learning workflows
vithursant/nanoGPT_mlx
Port of Andrej Karpathy's nanoGPT to Apple MLX framework.
kaist-amsg/LocalRetro
Retrosynthesis prediction for organic molecules with LocalRetro
Bayer-Group/xsmiles
Visualize atom and non-atom attributions and SMILES strings
CDDLeiden/PCMol
Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
rinikerlab/overlapping_assays
Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".
Carlssonlab/conformalpredictor
Machine learning accelerated docking screens
juanniwu/t-SMILES
UnixJunkie/molenc
MolEnc: a molecular encoder using rdkit and OCaml.
rinikerlab/molecular_time_series
Code and datasets from the publication https://doi.org/10.1186/s13321-023-00787-9
dehaenw/ECFPinvert
Algorithmic inversion of extended connectivity fingerprints (ECFP)
MarcvdSluys/Fortran-intro
A short introduction to modern Fortran
docking-org/pydock3
Python package wrapping the DOCK Fortran program and providing several tools built on top of it.
matteoferla/Fragment-hit-follow-up-chemistry
A collection of notebooks and scripts for the prediction of follow-up compounds in
HITS-MCM/tauRAMD
Computation of the drug-target relative residence times from RAMD simulations
Gumgo91/CombineMols
Easy to combine two molecules
martin-sicho/papyrus-scaffold-visualizer
srijitseal/DILI_Predictor