Ecosyste.ms: Repos
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Package Usage: conda: py3dmol
WebGL accelerated JavaScript molecular graphics library
6 versions
Latest release: almost 2 years ago
3 dependent packages
View more package details: https://packages.ecosyste.ms/registries/anaconda.org/packages/py3dmol
View more repository details: https://repos.ecosyste.ms/hosts/GitHub/repositories/3dmol%2F3Dmol.js
Dependent Repos 37
PattanaikL/GeoMol
- 0.9.1 devtools/environment.yml
Size: 63.6 MB - Last synced: 6 months ago - Pushed: 8 months ago
rdkit/UGM_2021
Materials from the (virtual) 2021 RDKit UGM- environment.yml
Size: 41.9 MB - Last synced: about 2 months ago - Pushed: over 2 years ago
sbl-sdsc/mmtf-workshop-2018
Structural Bioinformatics Training Workshop & Hackathon 2018- 0.8.0.* binder/environment.yml
- 0.8.0.* environment.yml
Size: 369 MB - Last synced: 7 months ago - Pushed: almost 2 years ago
mosdef-hub/MoSDeF-workshop
Collection of tutorials and example workflows for MoSDeF workshop at FOMMS 2022- environment.yml
Size: 10.8 MB - Last synced: about 2 months ago - Pushed: almost 2 years ago
mosdef-hub/mosdef_slitpore
A variety of water and carbon slit-pore simulations- environment.yml
Size: 6.71 MB - Last synced: about 2 months ago - Pushed: over 3 years ago
ReactionMechanismGenerator/T3
The Tandem Tool (T3) for automated chemical kinetic model development- >=0.8.0 environment.yml
Size: 15.1 MB - Last synced: 12 days ago - Pushed: 12 days ago
xiaoruiDong/easy_rmg_model
Contains some of the scripts and APIs to easily build a model by RMG- >=0.8.0 environment.yml
Size: 192 KB - Last synced: about 1 year ago - Pushed: almost 2 years ago
PTC-CMC/cybercamp
Rapid overview of molecular simulation- environment.yml
Size: 7.34 MB - Last synced: 9 months ago - Pushed: almost 2 years ago
greglandrum/rdkit-blog-fastpages
- environment.yml
Size: 31.5 MB - Last synced: 10 months ago - Pushed: over 1 year ago
rdkit/UGM_2020
Materials from the (virtual) 2020 RDKit UGM- environment.yml
Size: 93.8 MB - Last synced: about 2 months ago - Pushed: over 3 years ago
russodanielp/training_json
- environment.yml
Size: 2.37 MB - Last synced: about 1 year ago - Pushed: almost 2 years ago
covid-19-net/covid-19-community
Community effort to build a Neo4j Knowledge Graph (KG) that links heterogeneous data about COVID-19- 1.8.0.* binder/environment.yml
- 1.8.0.* environment.yml
Size: 37.7 MB - Last synced: 7 months ago - Pushed: almost 2 years ago
mosdef-hub/mbuild_tutorials
A set of tutorials to introduce new users to mBuild- environment.yml
Size: 9.45 MB - Last synced: about 2 months ago - Pushed: almost 3 years ago
lukinio/BAT
- environment.yml
Size: 12.3 MB - Last synced: about 1 year ago - Pushed: over 2 years ago
APIOxy/APIOxy
APIOxy- >=0.8.0 environment.yml
Size: 284 KB - Last synced: 7 months ago - Pushed: almost 2 years ago
mosdef-hub/gmso_showcase
Interactive demo/tutorial of current GMSO features and design decisions.- environment.yml
Size: 506 KB - Last synced: about 2 months ago - Pushed: almost 2 years ago
cmelab/p3ht_validation
- environment.yml
Size: 29.7 MB - Last synced: about 1 year ago - Pushed: about 2 years ago
IannLiu/RDMC
An RDKit Wrapper for molecule and conformer operation- environment.yml
Size: 1.62 MB - Last synced: about 1 year ago - Pushed: over 2 years ago
gmum/umwpl2021
The repository of the course "Machine Learning in Drug Design" at the Jagiellonian University, Kraków, Poland. The page is hosted by the machine learning research group GMUM.- environment.yml
Size: 2.57 MB - Last synced: 9 months ago - Pushed: over 2 years ago
sdsc-hpc-students/REHS2022
- 0.8.0.* Jack-Karpinski-REHS/environment.yml
Size: 37.7 MB - Last synced: 3 months ago - Pushed: 3 months ago
kspieks/DimeReaction
- >=0.8.0 environment.yml
Size: 39.4 MB - Last synced: about 1 year ago - Pushed: almost 2 years ago
sbl-sdsc/mmtf-pyspark
Methods for the parallel and distributed analysis and mining of the Protein Data Bank using MMTF and Apache Spark.- 0.8.0.* binder/environment.yml
- 0.8.0.* environment.yml
Size: 524 MB - Last synced: 17 days ago - Pushed: about 1 year ago
ReactionMechanismGenerator/TS-GCN
- >=0.8.0 environment.yml
Size: 15 MB - Last synced: 21 days ago - Pushed: about 1 year ago
jensengroup/HeckQM
A QM-based workflow for determining the regioselectivity of palladium-catalyzed Heck reactions.- environment.yml
Size: 68.2 MB - Last synced: 29 days ago - Pushed: over 1 year ago
DanaResearchGroup/AM3DB
3D Atom Mapping Database- >=0.8.0 environment.yml
Size: 821 KB - Last synced: about 1 year ago - Pushed: over 1 year ago
lanl/Architector
The architector python package - for 3D metal complex design. C22085- .ci_support/environment.yml
- environment.yml
Size: 11.2 MB - Last synced: 4 days ago - Pushed: 4 days ago
j-degroot/ACMDD
- 1.8.1 P10_Docking/environment.yml
Size: 68 MB - Last synced: about 1 year ago - Pushed: over 1 year ago
russodanielp/intro_cheminformatics
- environment.yml
Size: 29.1 MB - Last synced: about 1 year ago - Pushed: about 1 year ago
shihchengli/APE
APE - Automated Property Estimator- >=0.8.0 environment.yml
Size: 8.55 MB - Last synced: about 1 year ago - Pushed: over 1 year ago
Strandgaard96/GB_GA Fork of jensengroup/GB_GA
Graph-based genetic algorithm for nitrogen fixation- environment.yml
Size: 107 MB - Last synced: 11 months ago - Pushed: 11 months ago
greglandrum/presentations
- RDKit_Webcast_20201110/environment.yml
Size: 1.08 MB - Last synced: 10 months ago - Pushed: over 3 years ago
chrispyatt/ismb2019-project
- 0.8.0.* binder/environment.yml
Size: 23.1 MB - Last synced: about 1 year ago - Pushed: almost 5 years ago
ISMB-ECCB-2019-Tutorial-AM4/reproducible-computational-workflows
A Practical Introduction to Reproducible Computational Workflows (ISMB/ECCB 2019 Tutorial AM4)- 0.8.0.* 0-prerequisites/environment.yml
- 0.8.0.* binder/environment.yml
Size: 26.5 MB - Last synced: about 1 year ago - Pushed: almost 5 years ago
wilcas/ismb-tutorial
ismb 2019 reporducible workflows- 0.8.0.* binder/environment.yml
Size: 3.91 KB - Last synced: about 1 year ago - Pushed: almost 5 years ago
maurergroup/PX919
Interactive Jupyter notebooks on topics of computational chemistry- environment.yml
Size: 16.6 MB - Last synced: about 1 year ago - Pushed: over 1 year ago
cmelab/Anisotropic-Particle-Simulation
- environment.yml
Size: 423 KB - Last synced: 10 months ago - Pushed: 10 months ago
kspieks/ts_gen_v2
- >=0.8.0 environment.yml
Size: 12.7 MB - Last synced: about 1 year ago - Pushed: over 3 years ago
gmum/mldd23
The repository for the course "Machine Learning in Drug Design" taught at the Jagiellonian University in 2023. The page is hosted by the machine learning research group GMUM.- 2.0.1.post1.* environment.yml
Size: 9.8 MB - Last synced: 9 months ago - Pushed: 12 months ago
KyllenD/espsim_wrapper
Wrapper for galaxy implementation of ESP Similarity- environment.yml
Size: 18.6 KB - Last synced: 10 months ago - Pushed: about 1 year ago
daico007/surface_coatings
mBuild recipe to create different surface coating structure.- environment.yml
Size: 126 KB - Last synced: 2 months ago - Pushed: 2 months ago
aminrezasefid/GeoMol-cloned
- 0.9.1 devtools/environment.yml
Size: 64.3 MB - Last synced: 6 months ago - Pushed: 6 months ago
yerkoescalona/structural_bioinformatics
- 2.0.4.* environment.yml
Size: 1.79 MB - Last synced: 6 months ago - Pushed: 6 months ago
alkorolyov/linux_qm
Installation of orca in Linux- environment.yml
Size: 11.6 MB - Last synced: 5 months ago - Pushed: 5 months ago
quantaosun/pl3_gmx_mmpbsa
Open-Sourced. MMPBSA calculation and binding pocket residue-based energy decomposition after pl3 docking, with gmx_mmpbsa.- 2.0.4 environment.yml
Size: 3.5 MB - Last synced: 13 days ago - Pushed: 3 months ago
qchemlab-embedding/cheminformatics_toolkit
writeme- 2.0.1.post1.* devtools/conda-env/dev/environment.yml
Size: 130 KB - Last synced: 3 months ago - Pushed: 3 months ago
poclab-web/sphere_model
- 2.0.4 environment.yml
Size: 35.3 MB - Last synced: 28 days ago - Pushed: 2 months ago
cmelab/grits
A toolkit for working with coarse-grain systems- environment.yml
Size: 3.54 MB - Last synced: 7 days ago - Pushed: 8 days ago
arthijayaraman-lab/crease_ga
- environment.yml
Size: 18.2 MB - Last synced: 22 days ago - Pushed: 22 days ago
openforcefield/qca-dataset-submission
Data generation and submission scripts for the QCArchive ecosystem.- 0.8.0 submissions/2019-09-07-Pfizer-discrepancy-optimization-dataset-1/environment.yml
- 0.8.0 submissions/2019-09-07-Pfizer-discrepancy-torsion-dataset-1/environment.yml
- 0.8.0 submissions/2019-09-08-fda-optimization-dataset-1/environment.yml
Size: 230 MB - Last synced: 25 days ago - Pushed: 26 days ago
gmum/mldd24
The repository for the course "Machine Learning in Drug Design" taught at the Jagiellonian University in 2024. The page is hosted by the machine learning research group GMUM.- 2.0.4.* environment.yml
Size: 26.6 MB - Last synced: 7 days ago - Pushed: 7 days ago
JKosciukiewicz/MLDD24
- 2.0.4.* environment.yml
Size: 19.1 MB - Last synced: 7 days ago - Pushed: 7 days ago