raymolecule

0.9.0

Parse and Render Molecular Structures in 3D

0packages depend

2.6Kdownloads / year

83.2%test coverage

13/13checks pass

Overview

About

Maintained by Tyler Morgan-WallFirst published 2022-03-213 releasesCRAN page ↗GitHub ↗

Downloads and parses 'SDF' (Structural Description Format) and 'PDB' (Protein Database) files for 3D rendering.

Install

R (CRAN)pak (dev)Ubuntu (r2u)openSUSE (OBS)

install.packages("raymolecule", repos = "https://cloud.r-project.org/")

Installs the current CRAN release. Prebuilt binaries on Windows and macOS.

if (!requireNamespace("pak", quietly = TRUE))
  install.packages("pak", repos = "https://cloud.r-project.org/")
pak::pak("tylermorganwall/raymolecule")

Development version from tylermorganwall/raymolecule. Installs pak first if it is not already available.

Release

# enable cranapt (r2u) if it is not already set up, then install
grep -rqs r2u.stat.illinois.edu /etc/apt/sources.list /etc/apt/sources.list.d/ \
  || curl -fsSL https://raw.githubusercontent.com/eddelbuettel/r2u/master/inst/scripts/add_cranapt_noble.sh | sudo bash
sudo apt install -y r-cran-raymolecule

Fast Ubuntu binaries via r2u (no compilation). The cranapt setup runs once and is skipped when it is already enabled.

bspm (used by r2u) also needs make: sudo apt install make

# add the autoCRAN OBS repo (Tumbleweed) if it is missing, then install
zypper -q lr | grep -qi autoCRAN \
  || sudo zypper addrepo https://download.opensuse.org/repositories/devel:/languages:/R:/autoCRAN/openSUSE_Tumbleweed/devel:languages:R:autoCRAN.repo
sudo zypper install -y R-raymolecule

RPMs auto-built from CRAN on openSUSE OBS (Tumbleweed).

Health

CRAN checks

13OK

Slowest check: 2.3 min · r-devel-linux-x86_64-fedora-clang

Code health

Yes

Tests · ratio 0.39

83.2%

Coverage · measured lines

100%

Documentation · exports

Dependencies · direct

Check history

OK2026-07-03
13 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
NOTE2026-06-09
0 OK · 13 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
ERROR2026-06-08
0 OK · 12 NOTE · 0 WARNING · 1 ERROR · 0 FAILURE
NOTE2026-03-10
3 OK · 11 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE

Documentation

READMENoVignettesNopkgdown siteNoNEWSNoCode of conductNoContributing guideNo

Examples that run: 100%
Documented parameters: 94%
Return-value docs: 100%
References docs: 0%

Downloads

2.6K

CRAN downloads in the past year

Rank #14,187 · ~7/day · ~219/mo

Releases R versions

Daily download trend is not available in this view yet.

27630 days

75490 days

2.6K1 year

Compare downloads with other packages →

Also on97 r2u4 autocran

Repository

GitHub ↗ tylermorganwall/raymolecule

41Stars

6Forks

0Open issues

0Open PRs

0Releases

43Commits

2Contributors

43 commits · Last activity 2026-06-25 · 0% stars, 30d

Stars over time

2024-06-03 · 392026-07-07 · 41

Repository practices

Upstream repositoryBeta

3 development-tooling and community-health practices detected across 3 families in the upstream repository

Checks run against github.com/tylermorganwall/raymolecule on 2026-07-19.

Continuous integration (1)

GitHub Actions

Docs source (1)

README.Rmd

Lint, format, editor (1)

RStudio project

How this is detected·Detection ruleset v1 (2026-07-18)

Dependencies

Declared dependencies

6 external dependencies (excludes base and recommended)

Depends (1)

R >= 4.1

Imports (4)

rayrender PeriodicTable httr rayvertex (>= 0.15.0)

LinkingTo (0)

none

Suggests (2)

testthat rayimage

Enhances (0)

none

Dependency license breakdown →

Reverse dependencies

0direct

0indirect

Nothing depends on this yet.

Code & Tests

People & History

People (1)

Maintainer (1)

Tyler Morgan-Wall

Author, Copyright holder, Maintainer

Authors (1)

Tyler Morgan-Wall

Author, Copyright holder, Maintainer

Tyler Morgan-Wall

Author, Copyright holder, Maintainer

Package Timeline

3 releases. Pick two to compare their code metrics. R releases are shown for context.

0.9.0Latest
2026-06-26 · current release · diff ↗
R
R 4.6.0 released · 2026-04-24
R
R 4.5.0 released · 2025-04-11
R
R 4.4.0 released · 2024-04-24
0.5.3
2024-02-22 · diff ↗
R
R 4.3.0 released · 2023-04-21
R
R 4.2.0 released · 2022-04-22
0.5.0
2022-03-21
R
R 4.1.0 released · 2021-05-18

Package metadata

First published: 2022-03-21
Total releases: 3 / 4 yrs
License: GPL-3 OSI
Minimum R: ≥ 4.1
Download size: 29 KB
Installed size: not tracked yet
With dependencies: not tracked yet

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