Ecosyste.ms: Repos

An open API service providing repository metadata for many open source software ecosystems.

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

pschmidtke/blog
  • environment.yml

Size: 52.6 MB - Last synced: 11 months ago - Pushed: 11 months 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

conda-envs/default
  • >=0.9.2 environment.yml

Last synced: 12 months 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

AlDante/DTUFold
  • environment.yml

Size: 203 KB - Last synced: 10 months ago - Pushed: over 1 year 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