frantzeska/rdkit21python39 : singularity
Latest release: almost 3 years ago - 42 downloads - 191 dependencies
JSONDependencies
- tensorrt 8.5.3.1
- ;platform_system Darwin
- ;platform_system Linux
- ;platform_system Windows
- conda-package-handling 2.2.0
- ml_dtypes 0.2.0
- platform_machine aarch64
- ubuntu/adduser 3.116ubuntu1
- ubuntu/apt 1.6.14
- ubuntu/base-files 10.1ubuntu2.11
- ubuntu/base-passwd 3.5.44
- ubuntu/bash 4.4.18-2ubuntu1.3
- ubuntu/binutils-common 2.30-21ubuntu1~18.04.9
- ubuntu/binutils-x86-64-linux-gnu 2.30-21ubuntu1~18.04.9
- ubuntu/binutils 2.30-21ubuntu1~18.04.9
- ubuntu/bsdutils 1:2.31.1-0.4ubuntu3.7
- ubuntu/build-essential 12.4ubuntu1
- ubuntu/bzip2 1.0.6-8.1ubuntu0.2
- ubuntu/ca-certificates 20230311ubuntu0.18.04.1
- ubuntu/coreutils 8.28-1ubuntu1
- ubuntu/cpp-7 7.5.0-3ubuntu1~18.04
- ubuntu/cpp 4:7.4.0-1ubuntu2.3
- ubuntu/cuda-compat-11-0 450.191.01-1
- ubuntu/cuda-cudart-11-0 11.0.221-1
- ubuntu/dash 0.5.8-2.10
- ubuntu/debconf 1.5.66ubuntu1
- ubuntu/debianutils 4.8.4
- ubuntu/diffutils 1:3.6-1
- ubuntu/dirmngr 2.2.4-1ubuntu1.6
- ubuntu/dpkg-dev 1.19.0.5ubuntu2.4
- ubuntu/dpkg 1.19.0.5ubuntu2.4
- ubuntu/e2fsprogs 1.44.1-1ubuntu1.3
- ubuntu/fdisk 2.31.1-0.4ubuntu3.7
- ubuntu/findutils 4.6.0 git 20170828-2
- ubuntu/g -7 7.5.0-3ubuntu1~18.04
- ubuntu/g 4:7.4.0-1ubuntu2.3
- ubuntu/gcc-7-base 7.5.0-3ubuntu1~18.04
- ubuntu/gcc-7 7.5.0-3ubuntu1~18.04
- ubuntu/gcc-8-base 8.4.0-1ubuntu1~18.04
- ubuntu/gcc 4:7.4.0-1ubuntu2.3
- ubuntu/git-man 1:2.17.1-1ubuntu0.18
- ubuntu/git 1:2.17.1-1ubuntu0.18
- ubuntu/gnupg-l10n 2.2.4-1ubuntu1.6
- ubuntu/gnupg-utils 2.2.4-1ubuntu1.6
- ubuntu/gnupg2 2.2.4-1ubuntu1.6
- ubuntu/gnupg 2.2.4-1ubuntu1.6
- ubuntu/gpg-agent 2.2.4-1ubuntu1.6
- ubuntu/gpg-wks-client 2.2.4-1ubuntu1.6
- ubuntu/gpg-wks-server 2.2.4-1ubuntu1.6
- ubuntu/gpg 2.2.4-1ubuntu1.6
- ubuntu/gpgconf 2.2.4-1ubuntu1.6
- ubuntu/gpgsm 2.2.4-1ubuntu1.6
- ubuntu/gpgv 2.2.4-1ubuntu1.6
- ubuntu/grep 3.1-2build1
- ubuntu/gzip 1.6-5ubuntu1.2
- ubuntu/hostname 3.20
- ubuntu/init-system-helpers 1.51
- ubuntu/libacl1 2.2.52-3build1
- ubuntu/libapt-pkg5.0 1.6.14
- ubuntu/libasan4 7.5.0-3ubuntu1~18.04
- ubuntu/libasn1-8-heimdal 7.5.0 dfsg-1
- ubuntu/libassuan0 2.5.1-2
- ubuntu/libatomic1 8.4.0-1ubuntu1~18.04
- ubuntu/libattr1 1:2.4.47-2build1
- ubuntu/libaudit-common 1:2.8.2-1ubuntu1.1
- ubuntu/libaudit1 1:2.8.2-1ubuntu1.1
- ubuntu/libbinutils 2.30-21ubuntu1~18.04.9
- ubuntu/libblkid1 2.31.1-0.4ubuntu3.7
- ubuntu/libbz2-1.0 1.0.6-8.1ubuntu0.2
- ubuntu/libc-bin 2.27-3ubuntu1.6
- ubuntu/libc-dev-bin 2.27-3ubuntu1.6
- ubuntu/libc6-dev 2.27-3ubuntu1.6
- ubuntu/libc6 2.27-3ubuntu1.6
- ubuntu/libcap-ng0 0.7.7-3.1
- ubuntu/libcc1-0 8.4.0-1ubuntu1~18.04
- ubuntu/libcilkrts5 7.5.0-3ubuntu1~18.04
- ubuntu/libcom-err2 1.44.1-1ubuntu1.3
- ubuntu/libcurl3-gnutls 7.58.0-2ubuntu3.24
- ubuntu/libdb5.3 5.3.28-13.1ubuntu1.1
- ubuntu/libdebconfclient0 0.213ubuntu1
- ubuntu/libdpkg-perl 1.19.0.5ubuntu2.4
- ubuntu/liberror-perl 0.17025-1
- ubuntu/libexpat1 2.2.5-3ubuntu0.9
- ubuntu/libext2fs2 1.44.1-1ubuntu1.3
- ubuntu/libfdisk1 2.31.1-0.4ubuntu3.7
- ubuntu/libffi6 3.2.1-8
- ubuntu/libgcc-7-dev 7.5.0-3ubuntu1~18.04
- ubuntu/libgcc1 1:8.4.0-1ubuntu1~18.04
- ubuntu/libgcrypt20 1.8.1-4ubuntu1.3
- ubuntu/libgdbm-compat4 1.14.1-6
- ubuntu/libgdbm5 1.14.1-6
- ubuntu/libgmp10 2:6.1.2 dfsg-2
- ubuntu/libgnutls30 3.5.18-1ubuntu1.5
- ubuntu/libgomp1 8.4.0-1ubuntu1~18.04
- ubuntu/libgpg-error0 1.27-6
- ubuntu/libgssapi-krb5-2 1.16-2ubuntu0.4
- ubuntu/libgssapi3-heimdal 7.5.0 dfsg-1
- ubuntu/libhcrypto4-heimdal 7.5.0 dfsg-1
- ubuntu/libheimbase1-heimdal 7.5.0 dfsg-1
- ubuntu/libheimntlm0-heimdal 7.5.0 dfsg-1
- ubuntu/libhogweed4 3.4.1-0ubuntu0.18.04.1
- ubuntu/libhx509-5-heimdal 7.5.0 dfsg-1
- ubuntu/libidn2-0 2.0.4-1.1ubuntu0.2
- ubuntu/libisl19 0.19-1
- ubuntu/libitm1 8.4.0-1ubuntu1~18.04
- ubuntu/libk5crypto3 1.16-2ubuntu0.4
- ubuntu/libkeyutils1 1.5.9-9.2ubuntu2.1
- ubuntu/libkrb5-26-heimdal 7.5.0 dfsg-1
- ubuntu/libkrb5-3 1.16-2ubuntu0.4
- ubuntu/libkrb5support0 1.16-2ubuntu0.4
- ubuntu/libksba8 1.3.5-2
- ubuntu/libldap-2.4-2 2.4.45 dfsg-1ubuntu1.11
- ubuntu/libldap-common 2.4.45 dfsg-1ubuntu1.11
- ubuntu/liblsan0 8.4.0-1ubuntu1~18.04
- ubuntu/liblz4-1 0.0~r131-2ubuntu3.1
- ubuntu/liblzma5 5.2.2-1.3ubuntu0.1
- ubuntu/libmount1 2.31.1-0.4ubuntu3.7
- ubuntu/libmpc3 1.1.0-1
- ubuntu/libmpfr6 4.0.1-1
- ubuntu/libmpx2 8.4.0-1ubuntu1~18.04
- ubuntu/libncurses5 6.1-1ubuntu1.18.04
- ubuntu/libncursesw5 6.1-1ubuntu1.18.04
- ubuntu/libnettle6 3.4.1-0ubuntu0.18.04.1
- ubuntu/libnghttp2-14 1.30.0-1ubuntu1
- ubuntu/libnpth0 1.5-3
- ubuntu/libp11-kit0 0.23.9-2ubuntu0.1
- ubuntu/libpam-modules-bin 1.1.8-3.6ubuntu2.18.04.3
- ubuntu/libpam-modules 1.1.8-3.6ubuntu2.18.04.3
- ubuntu/libpam-runtime 1.1.8-3.6ubuntu2.18.04.3
- ubuntu/libpam0g 1.1.8-3.6ubuntu2.18.04.3
- ubuntu/libpcre3 2:8.39-9ubuntu0.1
- ubuntu/libperl5.26 5.26.1-6ubuntu0.7
- ubuntu/libprocps6 2:3.3.12-3ubuntu1.2
- ubuntu/libpsl5 0.19.1-5build1
- ubuntu/libquadmath0 8.4.0-1ubuntu1~18.04
- ubuntu/libreadline7 7.0-3
- ubuntu/libroken18-heimdal 7.5.0 dfsg-1
- ubuntu/librtmp1 2.4 20151223.gitfa8646d.1-1
- ubuntu/libsasl2-2 2.1.27~101-g0780600 dfsg-3ubuntu2.4
- ubuntu/libsasl2-modules-db 2.1.27~101-g0780600 dfsg-3ubuntu2.4
- ubuntu/libseccomp2 2.5.1-1ubuntu1~18.04.2
- ubuntu/libselinux1 2.7-2build2
- ubuntu/libsemanage-common 2.7-2build2
- ubuntu/libsemanage1 2.7-2build2
- ubuntu/libsepol1 2.7-1ubuntu0.1
- ubuntu/libsmartcols1 2.31.1-0.4ubuntu3.7
- ubuntu/libsqlite3-0 3.22.0-1ubuntu0.5
- ubuntu/libss2 1.44.1-1ubuntu1.3
- ubuntu/libssl1.1 1.1.1-1ubuntu2.1~18.04.20
- ubuntu/libstdc -7-dev 7.5.0-3ubuntu1~18.04
- ubuntu/libstdc 6 8.4.0-1ubuntu1~18.04
- ubuntu/libsystemd0 237-3ubuntu10.53
- ubuntu/libtasn1-6 4.13-2
- ubuntu/libtinfo5 6.1-1ubuntu1.18.04
- ubuntu/libtsan0 8.4.0-1ubuntu1~18.04
- ubuntu/libubsan0 7.5.0-3ubuntu1~18.04
- ubuntu/libudev1 237-3ubuntu10.53
- ubuntu/libunistring2 0.9.9-0ubuntu2
- ubuntu/libuuid1 2.31.1-0.4ubuntu3.7
- ubuntu/libwind0-heimdal 7.5.0 dfsg-1
- ubuntu/libzstd1 1.3.3 dfsg-2ubuntu1.2
- ubuntu/linux-libc-dev 4.15.0-213.224
- ubuntu/login 1:4.5-1ubuntu2.2
- ubuntu/lsb-base 9.20170808ubuntu1
- ubuntu/make 4.1-9.1ubuntu1
- ubuntu/mawk 1.3.3-17ubuntu3
- ubuntu/mount 2.31.1-0.4ubuntu3.7
- ubuntu/ncurses-base 6.1-1ubuntu1.18.04
- ubuntu/ncurses-bin 6.1-1ubuntu1.18.04
- ubuntu/openssl 1.1.1-1ubuntu2.1~18.04.20
- ubuntu/passwd 1:4.5-1ubuntu2.2
- ubuntu/patch 2.7.6-2ubuntu1.1
- ubuntu/perl-base 5.26.1-6ubuntu0.7
- ubuntu/perl-modules-5.26 5.26.1-6ubuntu0.7
- ubuntu/perl 5.26.1-6ubuntu0.7
- ubuntu/pinentry-curses 1.1.0-1
- ubuntu/procps 2:3.3.12-3ubuntu1.2
- ubuntu/readline-common 7.0-3
- ubuntu/sed 4.4-2
- ubuntu/sensible-utils 0.0.12
- ubuntu/sudo 1.8.21p2-3ubuntu1.6
- ubuntu/sysvinit-utils 2.88dsf-59.10ubuntu1
- ubuntu/tar 1.29b-2ubuntu0.3
- ubuntu/ubuntu-keyring 2018.09.18.1~18.04.2
- ubuntu/unzip 6.0-21ubuntu1.2
- ubuntu/util-linux 2.31.1-0.4ubuntu3.7
- ubuntu/wget 1.19.4-1ubuntu2.2
- ubuntu/xz-utils 5.2.2-1.3ubuntu0.1
- ubuntu/zlib1g 1:1.2.11.dfsg-0ubuntu2.1